2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C12H10N4O2S3 MolecularWeight: 338.4284

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CSC1=NSC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C12H10N4O2S3/c1-19-11-13-12(21-16-11)20-6-9-14-15-10(17)7-4-2-3-5-8(7)18-9/h2-5H,6H2,1H3,(H,15,17)