4-[4-methyl-3-(4-oxidanylbut-2-ynylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-methyl-3-(4-oxidanylbut-2-ynylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-(4-hydroxybut-2-ynylsulfanyl)-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(4-hydroxybut-2-ynylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-(4-hydroxybut-2-ynylsulfanyl)-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(4-hydroxybut-2-ynylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC#CCO

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC#CCO

InChI

InChI=1S/C13H13N3O2S/c1-16-12(10-4-6-11(18)7-5-10)14-15-13(16)19-9-3-2-8-17/h4-7,14,17H,8-9H2,1H3