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

Systemtic Name: 1-pyridin-2-yl-3-(thiophen-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(2-pyridyl)-3-(2-thienylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-pyridinyl)-3-(thiophen-2-ylmethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-pyridin-2-yl-3-(thiophen-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-(2-pyridyl)-3-(2-thenylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H17N3S2 MolecularWeight: 363.49908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CS3)C4=CC=CC=N4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CS3)C4=CC=CC=N4

InChI

InChI=1S/C20H17N3S2/c21-12-17-15-7-1-2-8-16(15)19(18-9-3-4-10-22-18)23-20(17)25-13-14-6-5-11-24-14/h3-6,9-11H,1-2,7-8,13H2