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

Systemtic Name: 2-hydroxyethyl-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium Openeye Name: 2-hydroxyethyl-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]ammonium CAS Name: 2-hydroxyethyl-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl]ammonium IUPAC Name: 2-hydroxyethyl-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]azanium Traditional Name: 2-hydroxyethyl-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl]ammonium Formula: C14H21N4O2S+ MolecularWeight: 309.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH2+]CCO)C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCC[NH2+]CCO)C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H20N4O2S/c1-18-13(11-3-5-12(20-2)6-4-11)16-17-14(18)21-10-8-15-7-9-19/h3-6,15,19H,7-10H2,1-2H3/p+1