methyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanyl-benzoate

Systemtic Name: methyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanyl-benzoate Openeye Name: methyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanyl-benzoate CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-mercaptobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzoate Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-mercapto-benzoic acid methyl ester Formula: C10H11N5O4S2 MolecularWeight: 329.35544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S)S(=O)(=O)NC2=NNC(=N2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S)S(=O)(=O)NC2=NNC(=N2)N

InChI

InChI=1S/C10H11N5O4S2/c1-19-8(16)5-2-3-6(20)7(4-5)21(17,18)15-10-12-9(11)13-14-10/h2-4,20H,1H3,(H4,11,12,13,14,15)