2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

InChI

InChI=1S/C22H20N4OS/c1-14-15(2)18(11-24)22(25-16(14)3)28-13-21(27)19-12-26(10-6-9-23)20-8-5-4-7-17(19)20/h4-5,7-8,12H,6,10,13H2,1-3H3