2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(m-anisylthio)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H20N2OS MolecularWeight: 324.4399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2OS/c1-13-6-7-18-15(8-13)10-16(11-20)19(21-18)23-12-14-4-3-5-17(9-14)22-2/h3-5,9-10,13H,6-8,12H2,1-2H3