1-[3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethyl-phenyl]ethanone

Systemtic Name: 1-[3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethyl-phenyl]ethanone Openeye Name: 1-[3-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethyl-phenyl]ethanone CAS Name: 1-[3-[[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-ethylphenyl]ethanone IUPAC Name: 1-[3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethylphenyl]ethanone Traditional Name: 1-[3-[[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethyl-phenyl]ethanone Formula: C22H22BrN3OS MolecularWeight: 456.39858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3OS/c1-4-12-26-21(17-8-10-20(23)11-9-17)24-25-22(26)28-14-19-13-18(15(3)27)7-6-16(19)5-2/h4,6-11,13H,1,5,12,14H2,2-3H3