3-[[2-oxidanylidene-2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]sulfanylmethyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[[2-oxidanylidene-2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]sulfanylmethyl]-1H-indole-5-carbonitrile Openeye Name: 3-[[2-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]sulfanylmethyl]-1H-indole-5-carbonitrile CAS Name: 3-[[[2-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]thio]methyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[[2-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]sulfanylmethyl]-1H-indole-5-carbonitrile Traditional Name: 3-[[[2-keto-2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethyl]thio]methyl]-1H-indole-5-carbonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)C(=O)CSCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1C=C(CC(N1)C(=O)CSCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c24-12-16-6-7-21-20(10-16)19(13-26-21)14-28-15-23(27)22-11-18(8-9-25-22)17-4-2-1-3-5-17/h1-8,10,13,22,25-26H,9,11,14-15H2