2-[2,4-bis(oxidanylidene)pentylsulfanyl]-4-methoxy-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2,4-bis(oxidanylidene)pentylsulfanyl]-4-methoxy-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(2,4-dioxopentylsulfanyl)-4-methoxy-6-methyl-pyridine-3-carbonitrile CAS Name: 2-(2,4-dioxopentylthio)-4-methoxy-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(2,4-dioxopentylsulfanyl)-4-methoxy-6-methylpyridine-3-carbonitrile Traditional Name: 2-(2,4-diketopentylthio)-4-methoxy-6-methyl-nicotinonitrile Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)OC)C#N)SCC(=O)CC(=O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)OC)C#N)SCC(=O)CC(=O)C

InChI

InChI=1S/C13H14N2O3S/c1-8-4-12(18-3)11(6-14)13(15-8)19-7-10(17)5-9(2)16/h4H,5,7H2,1-3H3