3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H17ClN2O2S2 MolecularWeight: 440.96558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC4=C(C=C3Cl)OCO4)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC4=C(C=C3Cl)OCO4)C5=CC=CS5

InChI

InChI=1S/C22H17ClN2O2S2/c23-17-9-19-18(26-12-27-19)8-13(17)11-29-22-16(10-24)14-4-1-2-5-15(14)21(25-22)20-6-3-7-28-20/h3,6-9H,1-2,4-5,11-12H2