4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]hydrazino]-4-oxo-butanoic acid CAS Name: 4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanoic acid IUPAC Name: 4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]hydrazinyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[N'-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]hydrazino]butyric acid Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)CCC(=O)O

InChI

InChI=1S/C16H19N5O4S/c1-10-14(17-16(26)19-18-12(22)8-9-13(23)24)15(25)21(20(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,18,22)(H,23,24)(H2,17,19,26)