N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C21H20ClFN4O3S MolecularWeight: 462.924903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN4O3S/c1-3-10-27-19(12-30-16-7-5-15(29-2)6-8-16)25-26-21(27)31-13-20(28)24-14-4-9-18(23)17(22)11-14/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)