3-[4-ethyl-5-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H19FN4O3S MolecularWeight: 366.410463

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)F)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)F)CCC(=O)N

InChI

InChI=1S/C16H19FN4O3S/c1-3-21-15(7-6-14(18)23)19-20-16(21)25-9-12(22)10-4-5-13(24-2)11(17)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,23)