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

Systemtic Name: 3-prop-2-enylsulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-allylsulfanyl-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(prop-2-enylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-prop-2-enylsulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(allylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H16N2S2 MolecularWeight: 312.45234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3

Isomeric SMILES

C=CCSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3

InChI

InChI=1S/C17H16N2S2/c1-2-9-21-17-14(11-18)12-6-3-4-7-13(12)16(19-17)15-8-5-10-20-15/h2,5,8,10H,1,3-4,6-7,9H2