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

Systemtic Name: (4S)-4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4S)-4-(2,4-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: (4S)-4-(2,4-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4S)-4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4S)-4-(2,4-dimethylphenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C(=S)N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS/c1-7-4-5-10(8(2)6-7)15-16-11-9(3)17-18(12(11)19)13(14)20/h4-6,11H,1-3H3,(H2,14,20)/t11-/m0/s1