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

Systemtic Name: 4-[[5-azanyl-1-[5-(2-phenylethynyl)thiophen-2-yl]carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-[5-(2-phenylethynyl)thiophene-2-carbonyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[oxo-[5-(2-phenylethynyl)-2-thiophenyl]methyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-[5-(2-phenylethynyl)thiophene-2-carbonyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-[5-(2-phenylethynyl)thiophene-2-carbonyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C21H16N6O3S2 MolecularWeight: 464.52014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(S2)C(=O)N3C(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(S2)C(=O)N3C(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C21H16N6O3S2/c22-20-25-21(24-15-7-11-17(12-8-15)32(23,29)30)26-27(20)19(28)18-13-10-16(31-18)9-6-14-4-2-1-3-5-14/h1-5,7-8,10-13H,(H2,23,29,30)(H3,22,24,25,26)