3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide (Q27192856)

MLS000567535 (English)

11 October 2016

chemical formula

C₁₃H₁₆N₄O₄S

1 reference

MLS000567535 (English)

11 October 2016

canonical SMILES

CCCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

1 reference

MLS000567535 (English)

InChI=1S/C13H16N4O4S/c1-2-3-7-11(18)15-16-13(22)14-12(19)9-5-4-6-10(8-9)17(20)21/h4-6,8H,2-3,7H2,1H3,(H,15,18)(H2,14,16,19,22)

11 October 2016

Identifiers

InChI

1 reference

MLS000567535 (English)

FAJDETCVQBTNNR-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000567535 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Nitro-N-[(2-pentanoylhydrazino)carbonothioyl]benzamide (English)

11 October 2016

2 references

MLS000567535 (English)

matched by identifier from

11 October 2016

InChIKey

FAJDETCVQBTNNR-UHFFFAOYSA-N

ChEBI ID

112740

mapping relation type

2 references

3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H16N4O4S/c1-2-3-7-11(18)15-16-13(22)14-12(19)9-5-4-6-10(8-9)17(20)21/h4-6,8H,2-3,7H2,1H3,(H,15,18)(H2,14,16,19,22)

1 reference