methyl 3-acetamido-5-(3-oxidanylsulfonothioyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: methyl 3-acetamido-5-(3-oxidanylsulfonothioyl-1,2,4-triazol-4-yl)benzoate Openeye Name: methyl 3-acetamido-5-(3-hydroxysulfonothioyl-1,2,4-triazol-4-yl)benzoate CAS Name: 3-acetamido-5-(3-hydroxysulfonothioyl-1,2,4-triazol-4-yl)benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(3-hydroxysulfonothioyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 3-acetamido-5-(3-hydroxysulfonothioyl-1,2,4-triazol-4-yl)benzoic acid methyl ester Formula: C12H12N4O5S2 MolecularWeight: 356.37748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)N2C=NN=C2S(=O)(=S)O)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)N2C=NN=C2S(=O)(=S)O)C(=O)OC

InChI

InChI=1S/C12H12N4O5S2/c1-7(17)14-9-3-8(11(18)21-2)4-10(5-9)16-6-13-15-12(16)23(19,20)22/h3-6H,1-2H3,(H,14,17)(H,19,20,22)