2-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid CAS Name: 2-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]besylic acid Formula: C10H10N4O4S2 MolecularWeight: 314.3408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CC1=NNC(=S)N1NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C10H10N4O4S2/c1-6-11-12-10(19)14(6)13-9(15)7-4-2-3-5-8(7)20(16,17)18/h2-5H,1H3,(H,12,19)(H,13,15)(H,16,17,18)