N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-ethyl-5-[(3-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-ethyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21FN4O2S/c1-3-25-18(12-22-19(26)15-7-9-17(27-2)10-8-15)23-24-20(25)28-13-14-5-4-6-16(21)11-14/h4-11H,3,12-13H2,1-2H3,(H,22,26)