6-(4-methoxyphenyl)-4-phenyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-phenyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(2-benzylsulfonylethylsulfanyl)-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-phenyl-2-[2-(phenylmethyl)sulfonylethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzylsulfonylethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(2-benzylsulfonylethylthio)-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C28H24N2O3S2 MolecularWeight: 500.63176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H24N2O3S2/c1-33-24-14-12-23(13-15-24)27-18-25(22-10-6-3-7-11-22)26(19-29)28(30-27)34-16-17-35(31,32)20-21-8-4-2-5-9-21/h2-15,18H,16-17,20H2,1H3