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

Systemtic Name: 3-butylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-butylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(butylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-butylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(butylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2S/c1-2-3-13-23-20-18(14-21)16-11-7-8-12-17(16)19(22-20)15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-13H2,1H3