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

Systemtic Name: 3-(cyanomethylsulfanyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(cyanomethylsulfanyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(cyanomethylthio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(cyanomethylsulfanyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(cyanomethylthio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC#N)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC#N)C#N

InChI

InChI=1S/C13H13N3S/c1-9-10-4-2-3-5-11(10)12(8-15)13(16-9)17-7-6-14/h2-5,7H2,1H3