3-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 3-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxo-pyrazol-4-ylidene)hydrazino]benzoic acid CAS Name: 3-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxo-4-pyrazolylidene)hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC(=C2)C(=O)O)C(=S)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC(=C2)C(=O)O)C(=S)N

InChI

InChI=1S/C12H11N5O3S/c1-6-9(10(18)17(16-6)12(13)21)15-14-8-4-2-3-7(5-8)11(19)20/h2-5,14H,1H3,(H2,13,21)(H,19,20)/b15-9+