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

Systemtic Name: 3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CC4CCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3C[C@H]4CCCO4

InChI

InChI=1S/C19H21N3O4S/c1-2-12-5-6-15-13(9-17(23)26-16(15)8-12)11-27-19-21-20-18(24)22(19)10-14-4-3-7-25-14/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H,20,24)/t14-/m1/s1