ethyl 1-(4-bromophenyl)-5-[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]sulfanyl-4-pyridin-2-yl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-5-[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]sulfanyl-4-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-5-[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]sulfanyl-4-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-[[(4-chlorophenyl)imino-phenylmethyl]thio]-4-(2-pyridinyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-5-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]sulfanyl-4-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-[[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]thio]-4-(2-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C31H23BrClN3O2S MolecularWeight: 616.95522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1C2=CC=CC=N2)SC(=NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1C2=CC=CC=N2)SC(=NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H23BrClN3O2S/c1-2-38-31(37)26-20-36(25-17-11-22(32)12-18-25)30(28(26)27-10-6-7-19-34-27)39-29(21-8-4-3-5-9-21)35-24-15-13-23(33)14-16-24/h3-20H,2H2,1H3