1-(4-bromophenyl)-4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 4-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-3-14-26-21(18-7-4-5-9-20(18)28-2)24-25-22(26)29-15-6-8-19(27)16-10-12-17(23)13-11-16/h3-5,7,9-13H,1,6,8,14-15H2,2H3