4-cyclohexyl-3-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclohexyl-3-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclohexyl-3-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclohexyl-3-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclohexyl-3-[(5,6,7-trimethoxy-3-oxo-1H-2-benzofuran-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclohexyl-3-[(3-keto-5,6,7-trimethoxy-phthalan-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NNC(=O)N3C4CCCCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NNC(=O)N3C4CCCCC4)OC)OC

InChI

InChI=1S/C20H25N3O6S/c1-26-15-12-9-29-18(24)14(12)13(16(27-2)17(15)28-3)10-30-20-22-21-19(25)23(20)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,21,25)