4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2-(phenylmethylsulfanyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2-(phenylmethylsulfanyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-5-oxo-2-(phenylmethylthio)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(benzylthio)-5-keto-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C24H20N2O3S MolecularWeight: 416.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=C(C(C2C(=O)C1)C3=CC4=C(C=C3)OCO4)C#N)SCC5=CC=CC=C5

Isomeric SMILES

C1CC2=NC(=C(C(C2C(=O)C1)C3=CC4=C(C=C3)OCO4)C#N)SCC5=CC=CC=C5

InChI

InChI=1S/C24H20N2O3S/c25-12-17-22(16-9-10-20-21(11-16)29-14-28-20)23-18(7-4-8-19(23)27)26-24(17)30-13-15-5-2-1-3-6-15/h1-3,5-6,9-11,22-23H,4,7-8,13-14H2