2-[(2-cyanophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(2-cyanophenyl)methylthio]-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-cyanobenzyl)thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C27H19N3OS MolecularWeight: 433.52426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H19N3OS/c1-31-23-13-11-19(12-14-23)24-15-26(20-7-3-2-4-8-20)30-27(25(24)17-29)32-18-22-10-6-5-9-21(22)16-28/h2-15H,18H2,1H3