3-(isoquinolin-1-ylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(isoquinolin-1-ylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(1-isoquinolylmethylsulfanyl)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(1-isoquinolinylmethylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(isoquinolin-1-ylmethylsulfanyl)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(1-isoquinolylmethylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H19N3S2 MolecularWeight: 413.55776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC=CC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC=CC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H19N3S2/c25-14-20-18-8-3-4-9-19(18)23(22-10-5-13-28-22)27-24(20)29-15-21-17-7-2-1-6-16(17)11-12-26-21/h1-2,5-7,10-13H,3-4,8-9,15H2