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

Systemtic Name: N-(3-bromophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C23H25BrN4O2S MolecularWeight: 501.4392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H25BrN4O2S/c1-3-14-28-21(9-4-6-17-10-12-20(30-2)13-11-17)26-27-23(28)31-16-22(29)25-19-8-5-7-18(24)15-19/h3,5,7-8,10-13,15H,1,4,6,9,14,16H2,2H3,(H,25,29)