2-[1-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[1-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(1H-indol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[[1-(1H-indol-2-yl)-1-oxopropan-2-yl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-[1-(1H-indol-2-yl)-1-oxopropan-2-yl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(1H-indol-2-yl)-2-keto-1-methyl-ethyl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=CC=CC=C2N1)SC3=NC4=C(CCCCC4)C=C3C#N

Isomeric SMILES

CC(C(=O)C1=CC2=CC=CC=C2N1)SC3=NC4=C(CCCCC4)C=C3C#N

InChI

InChI=1S/C22H21N3OS/c1-14(21(26)20-12-16-8-5-6-10-18(16)24-20)27-22-17(13-23)11-15-7-3-2-4-9-19(15)25-22/h5-6,8,10-12,14,24H,2-4,7,9H2,1H3