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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC3=CC4=C(C=C3Cl)OCO4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC3=CC4=C(C=C3Cl)OCO4)C#N

InChI

InChI=1S/C19H17ClN2O2S/c1-11-13-4-2-3-5-14(13)15(8-21)19(22-11)25-9-12-6-17-18(7-16(12)20)24-10-23-17/h6-7H,2-5,9-10H2,1H3