ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(methylsulfanylmethyl)-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(methylsulfanylmethyl)-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(methylsulfanylmethyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-[(methylthio)methyl]-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(methylsulfanylmethyl)-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-4-[(methylthio)methyl]-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C21H21BrClN3O3S MolecularWeight: 510.83174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClN3O3S/c1-3-29-19(27)21(13-30-2)12-26(20(28)24-17-10-6-15(22)7-11-17)25-18(21)14-4-8-16(23)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,24,28)