1-[[5-[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[1-(4-tert-butylphenyl)-1-oxopropan-2-yl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[1-(4-tert-butylphenyl)-1-oxopropan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)CN3CCCCCC3=O

InChI

InChI=1S/C24H34N4O2S/c1-6-28-20(16-27-15-9-7-8-10-21(27)29)25-26-23(28)31-17(2)22(30)18-11-13-19(14-12-18)24(3,4)5/h11-14,17H,6-10,15-16H2,1-5H3