2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-indolin-1-yl-2-keto-ethyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC3=CC=CC=C32)C

InChI

InChI=1S/C18H17N3OS/c1-12-9-13(2)20-18(15(12)10-19)23-11-17(22)21-8-7-14-5-3-4-6-16(14)21/h3-6,9H,7-8,11H2,1-2H3