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

Systemtic Name: ethyl 2-[(4-bromophenyl)-(2-nitrophenyl)sulfanyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)-(2-nitrophenyl)sulfanyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromo-N-[(2-nitrophenyl)thio]anilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)-(2-nitrophenyl)sulfanylcarbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)-[(2-nitrophenyl)thio]carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C26H22BrClN4O5S MolecularWeight: 617.89868

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)N(C3=CC=C(C=C3)Br)SC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C3=CC=C(C=C3)Br)SC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H22BrClN4O5S/c1-3-37-24(33)26(2)16-30(29-23(26)17-8-12-19(28)13-9-17)25(34)31(20-14-10-18(27)11-15-20)38-22-7-5-4-6-21(22)32(35)36/h4-15H,3,16H2,1-2H3