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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=NC=C3

InChI

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