1-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-bromophenyl)-2-[[4-p-phenetyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H18BrN3O2S2 MolecularWeight: 500.43122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Br)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Br)C4=CC=CS4

InChI

InChI=1S/C22H18BrN3O2S2/c1-2-28-16-11-9-15(10-12-16)26-21(20-8-5-13-29-20)24-25-22(26)30-14-19(27)17-6-3-4-7-18(17)23/h3-13H,2,14H2,1H3