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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3S/c1-12-4-5-16-14(7-12)8-15(9-18)17(20-16)21-11-13-3-2-6-19-10-13/h2-3,6,8,10,12H,4-5,7,11H2,1H3