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

Systemtic Name: ethyl 5-[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]sulfanyl-1-phenyl-4-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]sulfanyl-1-phenyl-4-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 5-[[(4-chlorophenyl)imino-phenylmethyl]thio]-1-phenyl-4-(2-pyridinyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]sulfanyl-1-phenyl-4-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 5-[[N-(4-chlorophenyl)-C-phenyl-carbonimidoyl]thio]-1-phenyl-4-(2-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C31H24ClN3O2S MolecularWeight: 538.05916

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H24ClN3O2S/c1-2-37-31(36)26-21-35(25-13-7-4-8-14-25)30(28(26)27-15-9-10-20-33-27)38-29(22-11-5-3-6-12-22)34-24-18-16-23(32)17-19-24/h3-21H,2H2,1H3