3-isoquinolin-1-ylsulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-isoquinolin-1-ylsulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(1-isoquinolylsulfanyl)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(1-isoquinolinylthio)-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-isoquinolin-1-ylsulfanyl-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(1-isoquinolylthio)-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H17N3S2 MolecularWeight: 399.53118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SC3=NC=CC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SC3=NC=CC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H17N3S2/c24-14-19-17-8-3-4-9-18(17)21(20-10-5-13-27-20)26-23(19)28-22-16-7-2-1-6-15(16)11-12-25-22/h1-2,5-7,10-13H,3-4,8-9H2