2,6-dimethoxy-4-[4-methyl-3-(2-oxidanylidene-2-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-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-pyrrolidinyl)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-pyrrolidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(2-keto-2-pyrrolidino-ethyl)thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC(=O)N3CCCC3

Isomeric SMILES

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O4S/c1-20-16(11-8-12(24-2)15(23)13(9-11)25-3)18-19-17(20)26-10-14(22)21-6-4-5-7-21/h8-9,18H,4-7,10H2,1-3H3