3-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methylidene]-2-benzofuran-1-one

Systemtic Name: 3-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methylidene]-2-benzofuran-1-one Openeye Name: 3-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methylene]isobenzofuran-1-one CAS Name: 3-[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]methylidene]-1-isobenzofuranone IUPAC Name: 3-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methylidene]-2-benzofuran-1-one Traditional Name: 3-[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]methylene]phthalide Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NC=C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CSC1=NNC(=N1)NC=C2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C12H10N4O2S/c1-19-12-14-11(15-16-12)13-6-9-7-4-2-3-5-8(7)10(17)18-9/h2-6H,1H3,(H2,13,14,15,16)