3-(2-methylprop-2-enylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-methylprop-2-enylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-methylallylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(2-methylprop-2-enylthio)-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-methylprop-2-enylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-methylallylthio)-1-pyrrolidino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC(=C2CCCCC2=C1C#N)N3CCCC3

Isomeric SMILES

CC(=C)CSC1=NC(=C2CCCCC2=C1C#N)N3CCCC3

InChI

InChI=1S/C18H23N3S/c1-13(2)12-22-18-16(11-19)14-7-3-4-8-15(14)17(20-18)21-9-5-6-10-21/h1,3-10,12H2,2H3