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

Systemtic Name: 1-[[4-ethyl-5-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CN4CCCCCC4=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CN4CCCCCC4=O)O

InChI

InChI=1S/C23H28N4O4S/c1-3-15-10-17-16(11-22(30)31-19(17)12-18(15)28)14-32-23-25-24-20(27(23)4-2)13-26-9-7-5-6-8-21(26)29/h10-12,28H,3-9,13-14H2,1-2H3