4-[(Z)-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylhydrazono]methyl]benzoic acid CAS Name: 4-[(Z)-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylhydrazono]methyl]benzoic acid Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C\C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19N5O3S/c1-13-17(18(26)25(24(13)2)16-6-4-3-5-7-16)22-20(29)23-21-12-14-8-10-15(11-9-14)19(27)28/h3-12H,1-2H3,(H,27,28)(H2,22,23,29)/b21-12-