S-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl) benzenecarbothioate

Systemtic Name: S-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl) benzenecarbothioate Openeye Name: S-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl) ester IUPAC Name: S-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-keto-5-methyl-3-pyrazolin-4-yl) ester Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)NN1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O2S/c1-7-9(10(14)13-12-7)16-11(15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14)