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

Systemtic Name: 1-[[4-ethyl-5-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC)CN3CCCCCC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC)CN3CCCCCC3=O

InChI

InChI=1S/C21H28N4O2S/c1-3-16-9-11-17(12-10-16)18(26)15-28-21-23-22-19(25(21)4-2)14-24-13-7-5-6-8-20(24)27/h9-12H,3-8,13-15H2,1-2H3