4-methoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-methoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Openeye Name: 4-methoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile CAS Name: 4-methoxy-5-(4-methylsulfonylphenyl)-6-[4-(methylthio)phenyl]-3-pyridinecarbonitrile IUPAC Name: 4-methoxy-6-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Traditional Name: 5-(4-mesylphenyl)-4-methoxy-6-[4-(methylthio)phenyl]nicotinonitrile Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1C#N)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C(=NC=C1C#N)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H18N2O3S2/c1-26-21-16(12-22)13-23-20(15-4-8-17(27-2)9-5-15)19(21)14-6-10-18(11-7-14)28(3,24)25/h4-11,13H,1-3H3