(3S)-6,7-dimethoxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]phthalide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=NN3)SC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=NC(=NN3)SC)OC

InChI

InChI=1S/C13H14N4O4S/c1-19-7-5-4-6-8(9(7)20-2)11(18)21-10(6)14-12-15-13(22-3)17-16-12/h4-5,10H,1-3H3,(H2,14,15,16,17)/t10-/m0/s1