4-[(2-chlorophenyl)diazenyl]-3-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 4-[(2-chlorophenyl)diazenyl]-3-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-(2-chlorophenyl)azo-3-(4-nitrophenyl)-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-(2-chlorophenyl)azo-3-(4-nitrophenyl)-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-[(2-chlorophenyl)diazenyl]-3-(4-nitrophenyl)-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 4-(2-chlorophenyl)azo-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C16H11ClN6O3S MolecularWeight: 402.81494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN6O3S/c17-11-3-1-2-4-12(11)19-20-14-13(21-22(15(14)24)16(18)27)9-5-7-10(8-6-9)23(25)26/h1-8,14H,(H2,18,27)