2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylhydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylhydrazono]methyl]-4-nitro-phenolate Formula: C19H17N6O4S- MolecularWeight: 425.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H18N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-10-15(25(28)29)8-9-16(13)26/h3-11,26H,1-2H3,(H2,21,22,30)/p-1