2-[[4-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[[4-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]phenyl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[4-[[(3-cyano-6-methyl-2-pyridinyl)thio]methyl]phenyl]methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[[4-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[4-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]benzyl]thio]-6-methyl-nicotinonitrile Formula: C22H18N4S2 MolecularWeight: 402.53512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)CSC3=C(C=CC(=N3)C)C#N

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=CC=C(C=C2)CSC3=C(C=CC(=N3)C)C#N

InChI

InChI=1S/C22H18N4S2/c1-15-3-9-19(11-23)21(25-15)27-13-17-5-7-18(8-6-17)14-28-22-20(12-24)10-4-16(2)26-22/h3-10H,13-14H2,1-2H3