4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-benzylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-benzylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(benzylthio)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O3S/c21-10-16-15(14-6-7-17-18(8-14)25-12-24-17)9-19(23)22-20(16)26-11-13-4-2-1-3-5-13/h1-8,15H,9,11-12H2,(H,22,23)