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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CN1C=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C12H11N5O2S/c1-17-7-13-16-12(17)20-6-10-14-15-11(18)8-4-2-3-5-9(8)19-10/h2-5,7H,6H2,1H3,(H,15,18)