2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]ethyl-(2-hydroxyethyl)ammonium Formula: C18H26BrN4OS+ MolecularWeight: 426.39424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC[NH2+]CCO)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC[NH2+]CCO)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H25BrN4OS/c19-15-8-6-14(7-9-15)17-21-22-18(25-13-11-20-10-12-24)23(17)16-4-2-1-3-5-16/h6-9,16,20,24H,1-5,10-13H2/p+1