2-[(4-oxidanylindol-4-yl)methylsulfanyl]-1-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethanone

Systemtic Name: 2-[(4-oxidanylindol-4-yl)methylsulfanyl]-1-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethanone Openeye Name: 2-[(4-hydroxyindol-4-yl)methylsulfanyl]-1-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethanone CAS Name: 2-[(4-hydroxy-4-indolyl)methylthio]-1-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethanone IUPAC Name: 2-[(4-hydroxyindol-4-yl)methylsulfanyl]-1-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethanone Traditional Name: 2-[(4-hydroxyindol-4-yl)methylthio]-1-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethanone Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)C(=O)CSCC2(C=CC=C3C2=CC=N3)O)C4=CC=CC=C4

Isomeric SMILES

C1C=C(CC(N1)C(=O)CSCC2(C=CC=C3C2=CC=N3)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2S/c25-21(20-13-17(8-11-24-20)16-5-2-1-3-6-16)14-27-15-22(26)10-4-7-19-18(22)9-12-23-19/h1-10,12,20,24,26H,11,13-15H2