N-(3,5-dimethoxyphenyl)-2-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H23FN4O4S/c1-4-9-27-20(13-31-17-7-5-15(23)6-8-17)25-26-22(27)32-14-21(28)24-16-10-18(29-2)12-19(11-16)30-3/h4-8,10-12H,1,9,13-14H2,2-3H3,(H,24,28)