2-[[4-[(3-cyanopyridin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[4-[(3-cyanopyridin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[4-[(3-cyano-2-pyridyl)sulfanylmethyl]phenyl]methylsulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[4-[[(3-cyano-2-pyridinyl)thio]methyl]phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 2-[[4-[(3-cyanopyridin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[4-[[(3-cyano-2-pyridyl)thio]methyl]benzyl]thio]nicotinonitrile Formula: C20H14N4S2 MolecularWeight: 374.48196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)CSC3=C(C=CC=N3)C#N)C#N

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)CSC3=C(C=CC=N3)C#N)C#N

InChI

InChI=1S/C20H14N4S2/c21-11-17-3-1-9-23-19(17)25-13-15-5-7-16(8-6-15)14-26-20-18(12-22)4-2-10-24-20/h1-10H,13-14H2