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

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

Systemtic Name:3-[(E)-(butylcarbamothioylhydrazinylidene)methyl]benzoic acid
Openeye Name:3-[(E)-(butylcarbamothioylhydrazono)methyl]benzoic acid
CAS Name:3-[(E)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]benzoic acid
IUPAC Name:3-[(E)-(butylcarbamothioylhydrazinylidene)methyl]benzoic acid
Traditional Name:3-[(E)-(butylthiocarbamoylhydrazono)methyl]benzoic acid
Formula: C13H17N3O2S
MolecularWeight: 279.35798
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17N3O2S/c1-2-3-7-14-13(19)16-15-9-10-5-4-6-11(8-10)12(17)18/h4-6,8-9H,2-3,7H2,1H3,(H,17,18)(H2,14,16,19)/b15-9+


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