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

Systemtic Name: 4-(4-methoxyphenyl)-2-(2-oxidanylidenepropylsulfanyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-(2-oxopropylthio)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-(2-oxopropylsulfanyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H18N2O2S/c1-15(25)14-27-22-20(13-23)19(16-8-10-18(26-2)11-9-16)12-21(24-22)17-6-4-3-5-7-17/h3-12H,14H2,1-2H3