(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N2O3S/c1-13-6-8-14(9-7-13)15-12-16(21-20-15)19(23)24-10-2-4-17(22)18-5-3-11-25-18/h3,5-9,11-12H,2,4,10H2,1H3,(H,20,21)