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

Systemtic Name: 1-[3-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2S/c1-4-10-25-20(16-6-5-7-18(22)12-16)23-24-21(25)28-13-17-11-15(14(2)26)8-9-19(17)27-3/h4-9,11-12H,1,10,13H2,2-3H3