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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide CAS Name: N-(2,4-difluorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(2,4-difluorophenyl)acetamide Formula: C20H18F2IN5OS MolecularWeight: 541.356096

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CNC3=CC=C(C=C3)I

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CNC3=CC=C(C=C3)I

InChI

InChI=1S/C20H18F2IN5OS/c1-2-9-28-18(11-24-15-6-4-14(23)5-7-15)26-27-20(28)30-12-19(29)25-17-8-3-13(21)10-16(17)22/h2-8,10,24H,1,9,11-12H2,(H,25,29)