2-[1-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[1-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(1H-indol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[1-(1H-indol-2-yl)-1-oxopropan-2-yl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[1-(1H-indol-2-yl)-1-oxopropan-2-yl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(1H-indol-2-yl)-2-keto-1-methyl-ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=CC=CC=C2N1)SC3=NC4=C(CCCC4)C=C3C#N

Isomeric SMILES

CC(C(=O)C1=CC2=CC=CC=C2N1)SC3=NC4=C(CCCC4)C=C3C#N

InChI

InChI=1S/C21H19N3OS/c1-13(20(25)19-11-15-7-3-4-8-17(15)23-19)26-21-16(12-22)10-14-6-2-5-9-18(14)24-21/h3-4,7-8,10-11,13,23H,2,5-6,9H2,1H3