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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)Br)C

InChI

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