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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br)CC3=CC=CS3

InChI

InChI=1S/C17H16BrN3O2S2/c1-21-16(9-12-4-3-7-24-12)19-20-17(21)25-10-14(22)11-5-6-15(23-2)13(18)8-11/h3-8H,9-10H2,1-2H3