2-[[5-[3-[2,4-bis(chloranyl)phenoxy]propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide

Systemtic Name: 2-[[5-[3-[2,4-bis(chloranyl)phenoxy]propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[3-(2,4-dichlorophenoxy)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[3-(2,4-dichlorophenoxy)propyl]-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C22H21BrCl2N4O2S MolecularWeight: 556.30274

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21BrCl2N4O2S/c1-2-10-29-20(7-4-11-31-19-9-8-16(24)13-18(19)25)27-28-22(29)32-14-21(30)26-17-6-3-5-15(23)12-17/h2-3,5-6,8-9,12-13H,1,4,7,10-11,14H2,(H,26,30)