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3-[(E)-(hexylcarbamothioylhydrazinylidene)methyl]benzoic acid

3-[(E)-(hexylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name:3-[(E)-(hexylcarbamothioylhydrazinylidene)methyl]benzoic acid
Openeye Name:3-[(E)-(hexylcarbamothioylhydrazono)methyl]benzoic acid
CAS Name:3-[(E)-[[(hexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid
IUPAC Name:3-[(E)-(hexylcarbamothioylhydrazinylidene)methyl]benzoic acid
Traditional Name:3-[(E)-(hexylthiocarbamoylhydrazono)methyl]benzoic acid
Formula: C15H21N3O2S
MolecularWeight: 307.41114
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NN=CC1=CC(=CC=C1)C(=O)O


Isomeric SMILES

CCCCCCNC(=S)N/N=C/C1=CC(=CC=C1)C(=O)O


InChI

InChI=1S/C15H21N3O2S/c1-2-3-4-5-9-16-15(21)18-17-11-12-7-6-8-13(10-12)14(19)20/h6-8,10-11H,2-5,9H2,1H3,(H,19,20)(H2,16,18,21)/b17-11+


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