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

Systemtic Name: 3-(cyanomethylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(cyanomethylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(cyanomethylthio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(cyanomethylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(cyanomethylthio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC#N)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC#N)C#N

InChI

InChI=1S/C14H15N3S/c1-2-13-11-6-4-3-5-10(11)12(9-16)14(17-13)18-8-7-15/h2-6,8H2,1H3