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

Systemtic Name: ethyl 5-[N-(4-methylphenyl)-C-phenyl-carbonimidoyl]sulfanyl-1-phenyl-4-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-phenyl-5-[C-phenyl-N-(p-tolyl)carbonimidoyl]sulfanyl-4-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 5-[[(4-methylphenyl)imino-phenylmethyl]thio]-1-phenyl-4-(2-pyridinyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]sulfanyl-1-phenyl-4-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 1-phenyl-5-[[C-phenyl-N-(p-tolyl)carbonimidoyl]thio]-4-(2-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C32H27N3O2S MolecularWeight: 517.64068

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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)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C32H27N3O2S/c1-3-37-32(36)27-22-35(26-14-8-5-9-15-26)31(29(27)28-16-10-11-21-33-28)38-30(24-12-6-4-7-13-24)34-25-19-17-23(2)18-20-25/h4-22H,3H2,1-2H3