2-[1-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[1-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1H-indol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(1H-indol-2-yl)-1-oxopropan-2-yl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[1-(1H-indol-2-yl)-1-oxopropan-2-yl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1H-indol-2-yl)-2-keto-1-methyl-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C29H21N3OS MolecularWeight: 459.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=CC=CC=C2N1)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC(C(=O)C1=CC2=CC=CC=C2N1)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C29H21N3OS/c1-19(28(33)27-16-22-14-8-9-15-25(22)31-27)34-29-24(18-30)23(20-10-4-2-5-11-20)17-26(32-29)21-12-6-3-7-13-21/h2-17,19,31H,1H3