4-[[5-azanyl-1-(3-bromanylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-(3-bromanylthiophen-2-yl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(3-bromothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[(3-bromo-2-thiophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(3-bromothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-(3-bromothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C13H11BrN6O3S2 MolecularWeight: 443.29884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)Br)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)Br)S(=O)(=O)N

InChI

InChI=1S/C13H11BrN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19)