methyl 5-(4-methylphenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-methylphenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylbenzoyl)-4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylbenzoyl)-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 5-p-toluoyl-4-(2-thienyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(=NN2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(=NN2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C17H16N2O3S/c1-10-5-7-11(8-6-10)16(20)14-13(12-4-3-9-23-12)15(19-18-14)17(21)22-2/h3-9,13-14,18H,1-2H3