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

Systemtic Name: 3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 3-methyl-4-(2-nitrophenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 3-methyl-4-(2-nitrophenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 5-keto-3-methyl-4-(2-nitrophenyl)azo-2-pyrazoline-1-carbothioamide Formula: C11H10N6O3S MolecularWeight: 306.3005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C11H10N6O3S/c1-6-9(10(18)16(15-6)11(12)21)14-13-7-4-2-3-5-8(7)17(19)20/h2-5,9H,1H3,(H2,12,21)