2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-4-17-11-13-19(14-12-17)27-16(3)21-23-24-22(25(21)5-2)28-15-20(26)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3