neticonazole hydrochloride (Q27286599)

neticonazole hydrochloride (English)

14 October 2016

chemical formula

C₁₇H₂₃ClN₂OS

1 reference

neticonazole hydrochloride (English)

14 October 2016

canonical SMILES

CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2.Cl

1 reference

neticonazole hydrochloride (English)

14 October 2016

isomeric SMILES

CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2.Cl

1 reference

neticonazole hydrochloride (English)

InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;

14 October 2016

Identifiers

InChI

1 reference

neticonazole hydrochloride (English)

14 October 2016

2 references

neticonazole hydrochloride (English)

Global Substance Registration System

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

130773-02-3

2 references

stated in

UNII

PKF582ZH6P

neticonazole hydrochloride (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=130773-02-3

9 April 2021

1 reference

neticonazole hydrochloride (English)

14 October 2016

2 references

neticonazole hydrochloride (English)

14 October 2016

ChEBI ID

31900

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;

SureChEMBL ID

SCHEMBL36681

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

1 reference

2 references

UNII

PKF582ZH6P

neticonazole hydrochloride (English)

14 October 2016