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

Systemtic Name: 1-[[5-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H32N4O2S MolecularWeight: 428.59078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C(C)(C)C)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C(C)(C)C)CN3CCCCCC3=O

InChI

InChI=1S/C23H32N4O2S/c1-5-27-20(15-26-14-8-6-7-9-21(26)29)24-25-22(27)30-16-19(28)17-10-12-18(13-11-17)23(2,3)4/h10-13H,5-9,14-16H2,1-4H3