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

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

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CN4CCCCCC4=O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CN4CCCCCC4=O

InChI

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