3-butylsulfanyl-1-morpholin-4-yl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-butylsulfanyl-1-morpholin-4-yl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile Openeye Name: 3-butylsulfanyl-1-morpholino-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile CAS Name: 3-(butylthio)-1-(4-morpholinyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile IUPAC Name: 3-butylsulfanyl-1-morpholin-4-yl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile Traditional Name: 3-(butylthio)-1-morpholino-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1C(=C2CCCCC2=C(N1)N3CCOCC3)C#N

Isomeric SMILES

CCCCSC1C(=C2CCCCC2=C(N1)N3CCOCC3)C#N

InChI

InChI=1S/C18H27N3OS/c1-2-3-12-23-18-16(13-19)14-6-4-5-7-15(14)17(20-18)21-8-10-22-11-9-21/h18,20H,2-12H2,1H3