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

Systemtic Name: 2-hydroxyethyl-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium Openeye Name: 2-hydroxyethyl-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]ammonium CAS Name: 2-hydroxyethyl-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl]ammonium IUPAC Name: 2-hydroxyethyl-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium Traditional Name: 2-hydroxyethyl-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl]ammonium Formula: C13H19N4O2S+ MolecularWeight: 295.38056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC[NH2+]CCO

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC[NH2+]CCO

InChI

InChI=1S/C13H18N4O2S/c1-19-12-5-3-2-4-11(12)17-10-15-16-13(17)20-9-7-14-6-8-18/h2-5,10,14,18H,6-9H2,1H3/p+1