2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl-(2-hydroxyethyl)ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC[NH2+]CCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC[NH2+]CCO

InChI

InChI=1S/C22H28N4OS/c1-22(2,3)18-11-9-17(10-12-18)20-24-25-21(28-16-14-23-13-15-27)26(20)19-7-5-4-6-8-19/h4-12,23,27H,13-16H2,1-3H3/p+1