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

Systemtic Name: (4R)-3-methyl-4-[(3-nitrophenyl)diazenyl]-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4R)-3-methyl-4-(3-nitrophenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: (4R)-3-methyl-4-(3-nitrophenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4R)-3-methyl-4-[(3-nitrophenyl)diazenyl]-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4R)-5-keto-3-methyl-4-(3-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)[C@@H]1N=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)14-13-7-3-2-4-8(5-7)17(19)20/h2-5,9H,1H3,(H2,12,21)/t9-/m1/s1