2-bromanyl-4-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzenesulfonamide Openeye Name: 2-bromo-4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzenesulfonamide CAS Name: 2-bromo-4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzenesulfonamide IUPAC Name: 2-bromo-4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzenesulfonamide Traditional Name: 2-bromo-4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzenesulfonamide Formula: C16H13BrN6O2S MolecularWeight: 433.28242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)S(=O)(=O)N)Br)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)S(=O)(=O)N)Br)N3C=NN=C3

InChI

InChI=1S/C16H13BrN6O2S/c17-15-7-13(3-6-16(15)26(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)