(4R)-4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: (4R)-4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4R)-4-(2,6-dichloro-4-nitro-phenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: (4R)-4-(2,6-dichloro-4-nitrophenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4R)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4R)-4-(2,6-dichloro-4-nitro-phenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C11H8Cl2N6O3S MolecularWeight: 375.19062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C(=S)N

InChI

InChI=1S/C11H8Cl2N6O3S/c1-4-8(10(20)18(17-4)11(14)23)15-16-9-6(12)2-5(19(21)22)3-7(9)13/h2-3,8H,1H3,(H2,14,23)/t8-/m1/s1