ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfanylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfanylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfanylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate CAS Name: 5-(4-chlorophenyl)-4-methyl-2-[[3-(methylthio)anilino]-oxomethyl]-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfanylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-methyl-1-[[3-(methylthio)phenyl]carbamoyl]-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C21H22ClN3O3S/c1-4-28-19(26)21(2)13-25(24-18(21)14-8-10-15(22)11-9-14)20(27)23-16-6-5-7-17(12-16)29-3/h5-12H,4,13H2,1-3H3,(H,23,27)