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

Systemtic Name: ethyl 1-(4-bromophenyl)-5-[N-(4-methoxyphenyl)-C-phenyl-carbonimidoyl]sulfanyl-4-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-5-[N-(4-methoxyphenyl)-C-phenyl-carbonimidoyl]sulfanyl-4-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-[[(4-methoxyphenyl)imino-phenylmethyl]thio]-4-(2-pyridinyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-5-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]sulfanyl-4-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-[[N-(4-methoxyphenyl)-C-phenyl-carbonimidoyl]thio]-4-(2-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C32H26BrN3O3S MolecularWeight: 612.53614

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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)OC)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)OC)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C32H26BrN3O3S/c1-3-39-32(37)27-21-36(25-16-12-23(33)13-17-25)31(29(27)28-11-7-8-20-34-28)40-30(22-9-5-4-6-10-22)35-24-14-18-26(38-2)19-15-24/h4-21H,3H2,1-2H3