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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-(phenacylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-(phenacylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4S/c22-10-16-15(14-6-7-18-19(8-14)27-12-26-18)9-20(25)23-21(16)28-11-17(24)13-4-2-1-3-5-13/h1-8,15H,9,11-12H2,(H,23,25)