2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 5-hydroxy-2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyran-4-one CAS Name: 5-hydroxy-2-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyran-4-one Traditional Name: 5-hydroxy-2-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]pyran-4-one Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)C(=CO3)O)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)C(=CO3)O)N4CCOCC4

InChI

InChI=1S/C19H20N4O4S/c1-13-4-2-3-5-15(13)23-18(22-6-8-26-9-7-22)20-21-19(23)28-12-14-10-16(24)17(25)11-27-14/h2-5,10-11,25H,6-9,12H2,1H3