1-phenyl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-phenyl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-phenyl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-phenyl-3-(propylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-phenyl-3-propylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-phenyl-3-(propylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H20N2S MolecularWeight: 308.4405

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2S/c1-2-12-22-19-17(13-20)15-10-6-7-11-16(15)18(21-19)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-12H2,1H3