2-[[5-[1-(4-bromanylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-[1-(4-bromanylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-[1-(4-bromophenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[1-(4-bromophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[1-(4-bromophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-[1-(4-bromophenoxy)ethyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2S/c1-3-13-26-20(15(2)28-18-11-9-16(22)10-12-18)24-25-21(26)29-14-19(27)23-17-7-5-4-6-8-17/h3-12,15H,1,13-14H2,2H3,(H,23,27)