2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H17N3S MolecularWeight: 355.45548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H17N3S/c1-15-11-16(2)25-22(21(15)13-24)26-14-17-7-9-18(10-8-17)20-6-4-3-5-19(20)12-23/h3-11H,14H2,1-2H3