1-(5-bromanylthiophen-2-yl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-bromo-2-thienyl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(5-bromo-2-thienyl)ethanone Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H16BrN3O2S2/c1-3-10-22-17(12-4-6-13(24-2)7-5-12)20-21-18(22)25-11-14(23)15-8-9-16(19)26-15/h3-9H,1,10-11H2,2H3