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

Systemtic Name: 4-[[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]benzenesulfonic acid Openeye Name: 4-[(3-benzyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid CAS Name: 4-[[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]benzenesulfonic acid IUPAC Name: 4-[(3-benzyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(3-benzyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]besylic acid Formula: C15H14N4O3S2 MolecularWeight: 362.42666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=S)N2NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=S)N2NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H14N4O3S2/c20-24(21,22)13-8-6-12(7-9-13)18-19-14(16-17-15(19)23)10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H,17,23)(H,20,21,22)