2-(phenylmethylsulfanyl)-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(phenylmethylsulfanyl)-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-(phenylmethylthio)-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(3-pyridyl)nicotinonitrile Formula: C18H13N3S MolecularWeight: 303.38092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C18H13N3S/c19-11-15-8-9-17(16-7-4-10-20-12-16)21-18(15)22-13-14-5-2-1-3-6-14/h1-10,12H,13H2