1-(5-bromanylthiophen-2-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H14BrN3OS2 MolecularWeight: 408.33586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H14BrN3OS2/c1-2-10-3-5-11(6-4-10)15-18-16(20-19-15)22-9-12(21)13-7-8-14(17)23-13/h3-8H,2,9H2,1H3,(H,18,19,20)