(4S)-3-methyl-4-[(4-methyl-3-nitro-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: (4S)-3-methyl-4-[(4-methyl-3-nitro-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4S)-3-methyl-4-(4-methyl-3-nitro-phenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: (4S)-3-methyl-4-(4-methyl-3-nitrophenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4S)-3-methyl-4-[(4-methyl-3-nitrophenyl)diazenyl]-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4S)-5-keto-3-methyl-4-(4-methyl-3-nitro-phenyl)azo-2-pyrazoline-1-carbothioamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N=N[C@H]2C(=NN(C2=O)C(=S)N)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c1-6-3-4-8(5-9(6)18(20)21)14-15-10-7(2)16-17(11(10)19)12(13)22/h3-5,10H,1-2H3,(H2,13,22)/t10-/m0/s1