2-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[(3-chlorophenyl)methylthio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[(3-chlorobenzyl)thio]-6-(3-pyridyl)nicotinonitrile Formula: C18H12ClN3S MolecularWeight: 337.82598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3S/c19-16-5-1-3-13(9-16)12-23-18-14(10-20)6-7-17(22-18)15-4-2-8-21-11-15/h1-9,11H,12H2