6,7-dimethoxy-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3H-isoindol-1-one

Systemtic Name: 6,7-dimethoxy-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3H-isoindol-1-one Openeye Name: 6,7-dimethoxy-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoindolin-1-one CAS Name: 6,7-dimethoxy-2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-3H-isoindol-1-one IUPAC Name: 6,7-dimethoxy-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3H-isoindol-1-one Traditional Name: 6,7-dimethoxy-2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]isoindolin-1-one Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C2=O)C3=NC(=NN3)SC)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CN(C2=O)C3=NC(=NN3)SC)C=C1)OC

InChI

InChI=1S/C13H14N4O3S/c1-19-8-5-4-7-6-17(11(18)9(7)10(8)20-2)12-14-13(21-3)16-15-12/h4-5H,6H2,1-3H3,(H,14,15,16)