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

Systemtic Name: 4-[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium Openeye Name: 4-[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium CAS Name: 4-[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium Traditional Name: 4-[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2OC)SCC[NH+]3CCOCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2OC)SCC[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4O2S/c1-13-17-18-16(23-12-9-19-7-10-22-11-8-19)20(13)14-5-3-4-6-15(14)21-2/h3-6H,7-12H2,1-2H3/p+1