3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NN=C(O1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSCC1=NN=C(O1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H11N5O2S2/c1-20-6-10-14-15-12(19-10)21-7-17-11(18)8-4-2-3-5-9(8)13-16-17/h2-5H,6-7H2,1H3