2-[(2-chlorophenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4,6-bis(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4,6-bis(4-methoxyphenyl)nicotinonitrile Formula: C27H21ClN2O2S MolecularWeight: 472.98584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H21ClN2O2S/c1-31-21-11-7-18(8-12-21)23-15-26(19-9-13-22(32-2)14-10-19)30-27(24(23)16-29)33-17-20-5-3-4-6-25(20)28/h3-15H,17H2,1-2H3