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

Systemtic Name: 4-[2-[3-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium Openeye Name: 4-[2-[3-methyl-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium CAS Name: 4-[2-[3-methyl-5-(2-pyridinylmethylthio)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[3-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium Traditional Name: 4-[2-[3-methyl-5-(2-pyridylmethylthio)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium Formula: C15H22N5OS+ MolecularWeight: 320.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC[NH+]2CCOCC2)SCC3=CC=CC=N3

Isomeric SMILES

CC1=NN=C(N1CC[NH+]2CCOCC2)SCC3=CC=CC=N3

InChI

InChI=1S/C15H21N5OS/c1-13-17-18-15(22-12-14-4-2-3-5-16-14)20(13)7-6-19-8-10-21-11-9-19/h2-5H,6-12H2,1H3/p+1