4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)N4CCOCC4

InChI

InChI=1S/C20H24N4O4S/c1-13(2)11-24-19(23-5-7-27-8-6-23)21-22-20(24)29-12-14-9-18(26)28-17-10-15(25)3-4-16(14)17/h3-4,9-10,13,25H,5-8,11-12H2,1-2H3