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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=NNC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC1=NN=C(N1C)SCC2=NNC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C13H13N5O2S/c1-8-14-17-13(18(8)2)21-7-11-15-16-12(19)9-5-3-4-6-10(9)20-11/h3-6H,7H2,1-2H3,(H,16,19)