1-[[5-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(7,8-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-7,8-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=C2C=CC(=C3C)C)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)CN4CCCCCC4=O

InChI

InChI=1S/C23H28N4O3S/c1-4-27-19(13-26-11-7-5-6-8-20(26)28)24-25-23(27)31-14-17-12-21(29)30-22-16(3)15(2)9-10-18(17)22/h9-10,12H,4-8,11,13-14H2,1-3H3