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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-isopentylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylthio)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(3-methylbutylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(isoamylthio)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(C)CCSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C18H20N2O3S/c1-11(2)5-6-24-18-14(9-19)13(8-17(21)20-18)12-3-4-15-16(7-12)23-10-22-15/h3-4,7,11,13H,5-6,8,10H2,1-2H3,(H,20,21)