6-(4-methylsulfinyl-2-propoxy-phenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylsulfinyl-2-propoxy-phenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-(4-methylsulfinyl-2-propoxy-phenyl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-(4-methylsulfinyl-2-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-(4-methylsulfinyl-2-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-6-(4-methylsulfinyl-2-propoxy-phenyl)-1H-pyridine-3-carbonitrile Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)C)C2=CC=C(C(=O)N2)C#N

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)C)C2=CC=C(C(=O)N2)C#N

InChI

InChI=1S/C16H16N2O3S/c1-3-8-21-15-9-12(22(2)20)5-6-13(15)14-7-4-11(10-17)16(19)18-14/h4-7,9H,3,8H2,1-2H3,(H,18,19)