4-methylsulfanyl-6-(3-nitrophenyl)-2-oxidanylidene-pyran-3-carbonitrile

Systemtic Name: 4-methylsulfanyl-6-(3-nitrophenyl)-2-oxidanylidene-pyran-3-carbonitrile Openeye Name: 4-methylsulfanyl-6-(3-nitrophenyl)-2-oxo-pyran-3-carbonitrile CAS Name: 4-(methylthio)-6-(3-nitrophenyl)-2-oxo-3-pyrancarbonitrile IUPAC Name: 4-methylsulfanyl-6-(3-nitrophenyl)-2-oxopyran-3-carbonitrile Traditional Name: 2-keto-4-(methylthio)-6-(3-nitrophenyl)pyran-3-carbonitrile Formula: C13H8N2O4S MolecularWeight: 288.27862

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C(=O)OC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H8N2O4S/c1-20-12-6-11(19-13(16)10(12)7-14)8-3-2-4-9(5-8)15(17)18/h2-6H,1H3