2-[(4-cyclohexyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide Formula: C27H29N6O3S2+ MolecularWeight: 549.68756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=C(NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[N+]2=C(NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O3S2/c34-25(29-21-14-16-23(17-15-21)38(35,36)32-24-13-7-8-18-28-24)19-37-27-31-30-26(20-9-3-1-4-10-20)33(27)22-11-5-2-6-12-22/h1,3-4,7-10,13-18,22H,2,5-6,11-12,19H2,(H2,28,29,32,34)/p+1