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

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-quinoline-3-carbonitrile Openeye Name: 6-ethyl-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-6-ethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethylquinoline-3-carbonitrile Traditional Name: 6-ethyl-2-[(2-indolin-1-yl-2-keto-ethyl)thio]quinoline-3-carbonitrile Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H19N3OS/c1-2-15-7-8-19-17(11-15)12-18(13-23)22(24-19)27-14-21(26)25-10-9-16-5-3-4-6-20(16)25/h3-8,11-12H,2,9-10,14H2,1H3