1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H14BrN3O2S2 MolecularWeight: 424.33526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)CC3=CC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)CC3=CC=CS3)Br

InChI

InChI=1S/C16H14BrN3O2S2/c1-22-14-5-4-10(7-12(14)17)13(21)9-24-16-18-15(19-20-16)8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,18,19,20)