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

Systemtic Name: 1-[[5-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC)CN4CCCCCC4=O)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC)CN4CCCCCC4=O)Cl

InChI

InChI=1S/C23H27ClN4O3S/c1-3-15-10-19-17(12-18(15)24)16(11-22(30)31-19)14-32-23-26-25-20(28(23)4-2)13-27-9-7-5-6-8-21(27)29/h10-12H,3-9,13-14H2,1-2H3