S-prop-2-enyl 3-methyl-4-(2-methylphenyl)-5-oxidanylidene-1H-pyrazole-2-carbothioate

Systemtic Name: S-prop-2-enyl 3-methyl-4-(2-methylphenyl)-5-oxidanylidene-1H-pyrazole-2-carbothioate Openeye Name: S-allyl 3-methyl-4-(o-tolyl)-5-oxo-1H-pyrazole-2-carbothioate CAS Name: 3-methyl-4-(2-methylphenyl)-5-oxo-1H-pyrazole-2-carbothioic acid S-prop-2-enyl ester IUPAC Name: S-prop-2-enyl 3-methyl-4-(2-methylphenyl)-5-oxo-1H-pyrazole-2-carbothioate Traditional Name: 3-keto-5-methyl-4-(o-tolyl)-3-pyrazoline-1-carbothioic acid S-allyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(NC2=O)C(=O)SCC=C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(NC2=O)C(=O)SCC=C)C

InChI

InChI=1S/C15H16N2O2S/c1-4-9-20-15(19)17-11(3)13(14(18)16-17)12-8-6-5-7-10(12)2/h4-8H,1,9H2,2-3H3,(H,16,18)