N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-(phenylthio)nicotinamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H23N3OS/c1-17-16-18(26-14-5-6-15-26)11-12-21(17)25-22(27)20-10-7-13-24-23(20)28-19-8-3-2-4-9-19/h2-4,7-13,16H,5-6,14-15H2,1H3,(H,25,27)