3-methyl-N-(4-methylphenyl)-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 3-methyl-N-(4-methylphenyl)-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 3-methyl-5-oxo-N-(p-tolyl)-4H-pyrazole-1-carbothioamide CAS Name: 3-methyl-N-(4-methylphenyl)-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 3-methyl-N-(4-methylphenyl)-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 5-keto-3-methyl-N-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=S)NC2=CC=C(C=C2)C

Isomeric SMILES

CC1=NN(C(=O)C1)C(=S)NC2=CC=C(C=C2)C

InChI

InChI=1S/C12H13N3OS/c1-8-3-5-10(6-4-8)13-12(17)15-11(16)7-9(2)14-15/h3-6H,7H2,1-2H3,(H,13,17)