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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H15ClN2O2S MolecularWeight: 358.8419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N

InChI

InChI=1S/C18H15ClN2O2S/c19-14-7-17-16(22-10-23-17)6-13(14)9-24-18-12(8-20)5-11-3-1-2-4-15(11)21-18/h5-7H,1-4,9-10H2