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

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-hydroxyethylsulfanyl)-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-hydroxyethylthio)-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-hydroxyethylthio)-1-piperidino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCCO)C#N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCCO)C#N

InChI

InChI=1S/C17H23N3OS/c18-12-15-13-6-2-3-7-14(13)16(19-17(15)22-11-10-21)20-8-4-1-5-9-20/h21H,1-11H2