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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-hydroxyethyl-[2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]ethyl]ammonium Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC[NH2+]CCO)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC[NH2+]CCO)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S/c1-2-26-18-10-8-17(9-11-18)24-19(16-6-4-3-5-7-16)22-23-20(24)27-15-13-21-12-14-25/h3-11,21,25H,2,12-15H2,1H3/p+1