6-methyl-4-pyridin-3-yl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-4-pyridin-3-yl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-4-(3-pyridyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-methyl-4-(3-pyridinyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-4-pyridin-3-yl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-4-(3-pyridyl)-2-(4-pyridylmethylthio)nicotinonitrile Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC3=CC=NC=C3

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC3=CC=NC=C3

InChI

InChI=1S/C18H14N4S/c1-13-9-16(15-3-2-6-21-11-15)17(10-19)18(22-13)23-12-14-4-7-20-8-5-14/h2-9,11H,12H2,1H3