3-(2-methylpropylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-methylpropylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-isobutylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-methylpropylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-methylpropylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(isobutylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2S/c1-14(2)13-23-20-18(12-21)16-10-6-7-11-17(16)19(22-20)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-11,13H2,1-2H3