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

Systemtic Name: (4S)-4-[(3-bromanyl-4-methyl-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4S)-4-(3-bromo-4-methyl-phenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: (4S)-4-(3-bromo-4-methylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4S)-4-[(3-bromo-4-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4S)-4-(3-bromo-4-methyl-phenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C12H12BrN5OS MolecularWeight: 354.22558

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN5OS/c1-6-3-4-8(5-9(6)13)15-16-10-7(2)17-18(11(10)19)12(14)20/h3-5,10H,1-2H3,(H2,14,20)/t10-/m0/s1