(3S)-4,4-dimethyl-6-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-4,4-dimethyl-6-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-4,4-dimethyl-6-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]sulfanyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-4,4-dimethyl-6-[[2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl]thio]-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-4,4-dimethyl-6-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]sulfanyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-2-keto-6-[[2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl]thio]-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C26H22N4O2S/c1-26(2)18(13-27)24(32)29-25(19(26)14-28)33-15-21(31)22-17-11-7-8-12-20(17)30(3)23(22)16-9-5-4-6-10-16/h4-12,18H,15H2,1-3H3,(H,29,32)/t18-/m0/s1