2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-4-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-4-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-4-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[[(4-methoxyphenyl)thio]methyl]-6-methyl-4-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[[(4-methoxyphenyl)thio]methyl]-6-methyl-4-(3-pyridyl)nicotinonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H17N3OS/c1-14-10-18(15-4-3-9-22-12-15)19(11-21)20(23-14)13-25-17-7-5-16(24-2)6-8-17/h3-10,12H,13H2,1-2H3