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

Systemtic Name: 4-[2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethyl]morpholin-4-ium Openeye Name: 4-[2-[3-methylsulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium CAS Name: 4-[2-[3-(methylthio)-5-pyridin-4-yl-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium IUPAC Name: 4-[2-(3-methylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)ethyl]morpholin-4-ium Traditional Name: 4-[2-[3-(methylthio)-5-(4-pyridyl)-1,2,4-triazol-4-yl]ethyl]morpholin-4-ium Formula: C14H20N5OS+ MolecularWeight: 306.4065

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC[NH+]2CCOCC2)C3=CC=NC=C3

Isomeric SMILES

CSC1=NN=C(N1CC[NH+]2CCOCC2)C3=CC=NC=C3

InChI

InChI=1S/C14H19N5OS/c1-21-14-17-16-13(12-2-4-15-5-3-12)19(14)7-6-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3/p+1