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

Systemtic Name: 4-[[5-azanyl-1-(1,2-oxazol-3-ylcarbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(isoxazole-3-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[3-isoxazolyl(oxo)methyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(1,2-oxazole-3-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-(isoxazole-3-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C12H11N7O4S MolecularWeight: 349.32524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N7O4S/c13-11-16-12(17-19(11)10(20)9-5-6-23-18-9)15-7-1-3-8(4-2-7)24(14,21)22/h1-6H,(H2,14,21,22)(H3,13,15,16,17)