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

Systemtic Name: 1-[[5-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)CN4CCCCCC4=O

InChI

InChI=1S/C23H28N4O3S/c1-4-27-20(13-26-9-7-5-6-8-21(26)28)24-25-23(27)31-14-17-12-22(29)30-19-11-16(3)15(2)10-18(17)19/h10-12H,4-9,13-14H2,1-3H3