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

Systemtic Name: 2-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzoate Openeye Name: 2-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxo-pyrazol-4-ylidene)hydrazino]benzoate CAS Name: 2-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxo-4-pyrazolylidene)hydrazinyl]benzoate IUPAC Name: 2-[(2E)-2-(1-carbamothioyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]benzoate Traditional Name: 2-[(N'E)-N'-(5-keto-3-methyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]benzoate Formula: C12H10N5O3S- MolecularWeight: 304.3045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)[O-])C(=S)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=CC=C2C(=O)[O-])C(=S)N

InChI

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