1-methyl-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-(phenylmethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(benzylthio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H18N2S/c1-13-15-9-5-6-10-16(15)17(11-19)18(20-13)21-12-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-10,12H2,1H3