2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN4O2S/c1-4-16-9-11-19(12-10-16)29-15(3)21-25-26-22(27(21)5-2)30-14-20(28)24-18-8-6-7-17(23)13-18/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)