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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(5-o-phenetyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-3-26-16-7-5-4-6-13(16)18-21-19(23-22-18)27-11-15(24)12-8-9-17(25-2)14(20)10-12/h4-10H,3,11H2,1-2H3,(H,21,22,23)