6-methyl-2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-methyl-2-(4-pyridylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-methyl-2-(pyridin-4-ylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-methyl-2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-methyl-2-(4-pyridylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C17H17N3S MolecularWeight: 295.40198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=NC=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC3=CC=NC=C3)C#N

InChI

InChI=1S/C17H17N3S/c1-12-2-3-16-14(8-12)9-15(10-18)17(20-16)21-11-13-4-6-19-7-5-13/h4-7,9,12H,2-3,8,11H2,1H3