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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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