ethyl 5-(C,N-diphenylcarbonimidoyl)sulfanyl-1-phenyl-4-pyridin-2-yl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(C,N-diphenylcarbonimidoyl)sulfanyl-1-phenyl-4-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(C,N-diphenylcarbonimidoyl)sulfanyl-1-phenyl-4-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 1-phenyl-5-[[phenyl(phenylimino)methyl]thio]-4-(2-pyridinyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(C,N-diphenylcarbonimidoyl)sulfanyl-1-phenyl-4-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 5-[(C,N-diphenylcarbonimidoyl)thio]-1-phenyl-4-(2-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C31H25N3O2S MolecularWeight: 503.6141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25N3O2S/c1-2-36-31(35)26-22-34(25-18-10-5-11-19-25)30(28(26)27-20-12-13-21-32-27)37-29(23-14-6-3-7-15-23)33-24-16-8-4-9-17-24/h3-22H,2H2,1H3