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

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CC4CCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3C[C@H]4CCCO4

InChI

InChI=1S/C18H19N3O5S/c1-24-12-4-5-14-11(7-16(22)26-15(14)8-12)10-27-18-20-19-17(23)21(18)9-13-3-2-6-25-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,19,23)/t13-/m1/s1