4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)azo]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 5-keto-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azo]-3-methyl-2-pyrazoline-1-carbothioamide Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=S)N

InChI

InChI=1S/C16H17N7O2S/c1-9-12(14(24)22(20-9)16(17)26)18-19-13-10(2)21(3)23(15(13)25)11-7-5-4-6-8-11/h4-8,12H,1-3H3,(H2,17,26)