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

Systemtic Name: 4-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium Openeye Name: 4-[2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium CAS Name: 4-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholin-4-ium Traditional Name: 4-[2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]morpholin-4-ium Formula: C20H24N5OS+ MolecularWeight: 382.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC[NH+]3CCOCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC[NH+]3CCOCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H23N5OS/c1-16-2-4-18(5-3-16)25-19(17-6-8-21-9-7-17)22-23-20(25)27-15-12-24-10-13-26-14-11-24/h2-9H,10-15H2,1H3/p+1