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

Systemtic Name: 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O2S/c1-4-15-8-10-18(11-9-15)28-14(2)20-24-25-21(26(20)3)29-13-19(27)23-17-7-5-6-16(22)12-17/h5-12,14H,4,13H2,1-3H3,(H,23,27)