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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(3-cyanopropylsulfanyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(3-cyanopropylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(3-cyanopropylthio)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(3-cyanopropylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(3-cyanopropylthio)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCCCC#N)C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C(C(=C(NC1=O)SCCCC#N)C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15N3O3S/c18-5-1-2-6-24-17-13(9-19)12(8-16(21)20-17)11-3-4-14-15(7-11)23-10-22-14/h3-4,7,12H,1-2,6,8,10H2,(H,20,21)