(2-methylsulfanylphenyl)-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]methanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-28-22-11-3-2-10-21(22)23(27)18-7-5-13-25(16-18)17-20-9-6-14-26(20)19-8-4-12-24-15-19/h2-4,6,8-12,14-15,18H,5,7,13,16-17H2,1H3