1-ethyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-allylsulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-(prop-2-enylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(allylthio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C15H18N2S MolecularWeight: 258.38182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2S/c1-3-9-18-15-13(10-16)11-7-5-6-8-12(11)14(4-2)17-15/h3H,1,4-9H2,2H3