4-(2-methoxyphenyl)-2-phenacylsulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(2-methoxyphenyl)-2-phenacylsulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(2-methoxyphenyl)-2-phenacylsulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(2-methoxyphenyl)-2-(phenacylthio)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(2-methoxyphenyl)-2-phenacylsulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(2-methoxyphenyl)-2-(phenacylthio)-6-phenyl-nicotinonitrile Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O2S/c1-31-26-15-9-8-14-21(26)22-16-24(19-10-4-2-5-11-19)29-27(23(22)17-28)32-18-25(30)20-12-6-3-7-13-20/h2-16H,18H2,1H3