5-(2,1,3-benzothiadiazol-5-ylmethylsulfanylmethyl)-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-(2,1,3-benzothiadiazol-5-ylmethylsulfanylmethyl)-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-(2,1,3-benzothiadiazol-5-ylmethylsulfanylmethyl)-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[(2,1,3-benzothiadiazol-5-ylmethylthio)methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-(2,1,3-benzothiadiazol-5-ylmethylsulfanylmethyl)-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[(piazthiol-5-ylmethylthio)methyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C10H9N5OS2 MolecularWeight: 279.34136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1CSCC3=NC(=O)NN3

Isomeric SMILES

C1=CC2=NSN=C2C=C1CSCC3=NC(=O)NN3

InChI

InChI=1S/C10H9N5OS2/c16-10-11-9(12-13-10)5-17-4-6-1-2-7-8(3-6)15-18-14-7/h1-3H,4-5H2,(H2,11,12,13,16)