2-phenylsulfanyl-1-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone

Systemtic Name: 2-phenylsulfanyl-1-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone Openeye Name: 2-phenylsulfanyl-1-[1-(2-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone CAS Name: 2-(phenylthio)-1-[1-(2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone IUPAC Name: 2-phenylsulfanyl-1-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone Traditional Name: 2-(phenylthio)-1-[1-(2-pyridyl)-1,3,4,9-tetrahydro-$b-carbolin-2-yl]ethanone Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=N4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=N4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C24H21N3OS/c28-22(16-29-17-8-2-1-3-9-17)27-15-13-19-18-10-4-5-11-20(18)26-23(19)24(27)21-12-6-7-14-25-21/h1-12,14,24,26H,13,15-16H2