5,6-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)-2,3-dihydroinden-1-one

Systemtic Name: 5,6-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)-2,3-dihydroinden-1-one Openeye Name: 5,6-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)indan-1-one CAS Name: 5,6-dimethoxy-2-(1H-1,2,4-triazol-5-ylthio)-2,3-dihydroinden-1-one IUPAC Name: 5,6-dimethoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)-2,3-dihydroinden-1-one Traditional Name: 5,6-dimethoxy-2-(1H-1,2,4-triazol-5-ylthio)indan-1-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC=NN3)OC

InChI

InChI=1S/C13H13N3O3S/c1-18-9-3-7-4-11(20-13-14-6-15-16-13)12(17)8(7)5-10(9)19-2/h3,5-6,11H,4H2,1-2H3,(H,14,15,16)