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

Systemtic Name: (4S)-3-methyl-4-[(4-methylphenyl)diazenyl]-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: (4S)-3-methyl-5-oxo-4-(p-tolylazo)-4H-pyrazole-1-carbothioamide CAS Name: (4S)-3-methyl-4-(4-methylphenyl)azo-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: (4S)-3-methyl-4-[(4-methylphenyl)diazenyl]-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: (4S)-5-keto-3-methyl-4-(p-tolylazo)-2-pyrazoline-1-carbothioamide Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5OS/c1-7-3-5-9(6-4-7)14-15-10-8(2)16-17(11(10)18)12(13)19/h3-6,10H,1-2H3,(H2,13,19)/t10-/m0/s1