methyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethanoyl-carbamothioyl]-4-methyl-3H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)-ethanoyl-carbamothioyl]-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: methyl 2-[acetyl-(4-chlorophenyl)carbamothioyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(N-acetyl-4-chloroanilino)-sulfanylidenemethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[acetyl-(4-chlorophenyl)carbamothioyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[acetyl-(4-chlorophenyl)thiocarbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid methyl ester Formula: C21H19Cl2N3O3S MolecularWeight: 464.36486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)Cl)C(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)C(=O)OC

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)Cl)C(=S)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)C(=O)OC

InChI

InChI=1S/C21H19Cl2N3O3S/c1-13(27)26(17-10-8-16(23)9-11-17)20(30)25-12-21(2,19(28)29-3)18(24-25)14-4-6-15(22)7-5-14/h4-11H,12H2,1-3H3