2-[(3-cyanophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(3-cyanophenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(3-cyanobenzyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C17H15N3S MolecularWeight: 293.3861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C17H15N3S/c1-11-12(2)16(9-19)17(20-13(11)3)21-10-15-6-4-5-14(7-15)8-18/h4-7H,10H2,1-3H3