2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-keto-7,8-dihydro-6H-quinoline-3-carbonitrile Formula: C18H13ClN2O3S MolecularWeight: 372.82542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C(=O)C1

InChI

InChI=1S/C18H13ClN2O3S/c19-13-6-17-16(23-9-24-17)5-11(13)8-25-18-10(7-20)4-12-14(21-18)2-1-3-15(12)22/h4-6H,1-3,8-9H2