4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C15H12N4O4S2 MolecularWeight: 376.41018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C15H12N4O4S2/c16-25(20,21)11-4-2-10(3-5-11)19-14(17-18-15(19)24)9-1-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H,18,24)(H2,16,20,21)