5-ethanoyl-4-(1H-indol-3-yl)-6-methyl-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-4-(1H-indol-3-yl)-6-methyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(1H-indol-3-yl)-6-methyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-4-(1H-indol-3-yl)-6-methyl-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-4-(1H-indol-3-yl)-6-methyl-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(1H-indol-3-yl)-6-methyl-2-(phenacylthio)nicotinonitrile Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CNC4=CC=CC=C43)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CNC4=CC=CC=C43)C(=O)C

InChI

InChI=1S/C25H19N3O2S/c1-15-23(16(2)29)24(20-13-27-21-11-7-6-10-18(20)21)19(12-26)25(28-15)31-14-22(30)17-8-4-3-5-9-17/h3-11,13,27H,14H2,1-2H3