4-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(2,6-dimethylphenyl)thiocarbamoylhydrazono]methyl]benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17N3O2S/c1-11-4-3-5-12(2)15(11)19-17(23)20-18-10-13-6-8-14(9-7-13)16(21)22/h3-10H,1-2H3,(H,21,22)(H2,19,20,23)/b18-10+