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

Systemtic Name: 1-[[4-ethyl-5-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-5-29-22(14-28-10-8-6-7-9-23(28)30)26-27-25(29)33-15-18-12-24(31)32-21-11-17(4)19(16(2)3)13-20(18)21/h11-13,16H,5-10,14-15H2,1-4H3