2-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid Openeye Name: 2-[(E)-(allylcarbamothioylhydrazono)methyl]benzoic acid CAS Name: 2-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(allylthiocarbamoylhydrazono)methyl]benzoic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=CC=CC=C1C(=O)O

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H13N3O2S/c1-2-7-13-12(18)15-14-8-9-5-3-4-6-10(9)11(16)17/h2-6,8H,1,7H2,(H,16,17)(H2,13,15,18)/b14-8+