methyl 2-methyl-3-(phenylmethyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 2-methyl-3-(phenylmethyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: methyl 3-benzyl-2-methyl-5-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2-methyl-3-(phenylmethyl)-5-sulfanylidene-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-methyl-5-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 5-benzyl-1-methyl-3-thioxo-3-pyrazoline-4-carboxylic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=S)N1)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=S)N1)C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-15-10(8-9-6-4-3-5-7-9)11(12(18)14-15)13(16)17-2/h3-7H,8H2,1-2H3,(H,14,18)