2,6-dimethoxy-4-[4-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethoxy-4-[4-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethoxy-4-[4-methyl-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-dimethoxy-4-[4-methyl-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethoxy-4-[4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(2-keto-2-piperidino-ethyl)thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC(=O)N3CCCCC3

Isomeric SMILES

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4O4S/c1-21-17(12-9-13(25-2)16(24)14(10-12)26-3)19-20-18(21)27-11-15(23)22-7-5-4-6-8-22/h9-10,19H,4-8,11H2,1-3H3