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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)C(=CO3)O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)C(=CO3)O)N4CCOCC4

InChI

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