neticonazole (Q6999726)

Neticonazole (English)

14 October 2016

chemical formula

C₁₇H₂₂N₂OS

1 reference

Neticonazole (English)

14 October 2016

canonical SMILES

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

1 reference

Neticonazole (English)

14 October 2016

isomeric SMILES

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

1 reference

Neticonazole (English)

InChI=1S/C17H22N2OS/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/b16-13+

14 October 2016

Identifiers

InChI

1 reference

Neticonazole (English)

14 October 2016

2 references

Neticonazole (English)

Global Substance Registration System

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

130726-68-0

2 references

stated in

UNII

KVL61ZF9UO

neticonazole (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=130726-68-0

8 April 2021

1 reference

Neticonazole (English)

14 October 2016

2 references

Neticonazole (English)

14 October 2016

ChEBI ID

135281

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C17H22N2OS/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/b16-13+

1 reference

NETICONAZOLE (English)

14 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

KVL61ZF9UO

neticonazole (English)

14 October 2016