4,6-dimethyl-2-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(=C(C)O)C(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S/C(=C(/C)\O)/C(=O)C)C

InChI

InChI=1S/C13H14N2O2S/c1-7-5-8(2)15-13(11(7)6-14)18-12(9(3)16)10(4)17/h5,16H,1-4H3/b12-9-