2-phenylsulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[2-(1-pyrrolyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-(2-pyrrol-1-ylethyl)nicotinamide Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCN3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCN3C=CC=C3

InChI

InChI=1S/C18H17N3OS/c22-17(19-11-14-21-12-4-5-13-21)16-9-6-10-20-18(16)23-15-7-2-1-3-8-15/h1-10,12-13H,11,14H2,(H,19,22)