3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CC4CCCO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3C[C@H]4CCCO4)O

InChI

InChI=1S/C19H21N3O5S/c1-2-11-6-14-12(7-17(24)27-16(14)8-15(11)23)10-28-19-21-20-18(25)22(19)9-13-4-3-5-26-13/h6-8,13,23H,2-5,9-10H2,1H3,(H,20,25)/t13-/m1/s1