3-(2-hydroxyethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-hydroxyethylsulfanyl)-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-hydroxyethylthio)-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-hydroxyethylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCCO)N3CCOCC3

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCCO)N3CCOCC3

InChI

InChI=1S/C16H21N3O2S/c17-11-14-12-3-1-2-4-13(12)15(18-16(14)22-10-7-20)19-5-8-21-9-6-19/h20H,1-10H2