2,6-dimethoxy-4-[4-methyl-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethoxy-4-[4-methyl-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethoxy-4-[4-methyl-3-(3-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-dimethoxy-4-[4-methyl-3-(3-pyridinylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethoxy-4-[4-methyl-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-dimethoxy-4-[4-methyl-3-(3-pyridylmethylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC3=CN=CC=C3

Isomeric SMILES

CN1C(=C2C=C(C(=O)C(=C2)OC)OC)NN=C1SCC3=CN=CC=C3

InChI

InChI=1S/C17H18N4O3S/c1-21-16(12-7-13(23-2)15(22)14(8-12)24-3)19-20-17(21)25-10-11-5-4-6-18-9-11/h4-9,19H,10H2,1-3H3