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

Systemtic Name: 1-phenyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-allylsulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-phenyl-3-(prop-2-enylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-phenyl-3-prop-2-enylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(allylthio)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H18N2S MolecularWeight: 306.42462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

Isomeric SMILES

C=CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2S/c1-2-12-22-19-17(13-20)15-10-6-7-11-16(15)18(21-19)14-8-4-3-5-9-14/h2-5,8-9H,1,6-7,10-12H2