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

Systemtic Name: 1-methyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-allylsulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-(prop-2-enylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(allylthio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C14H16N2S MolecularWeight: 244.35524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2S/c1-3-8-17-14-13(9-15)12-7-5-4-6-11(12)10(2)16-14/h3H,1,4-8H2,2H3