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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-3-4-11-28-18-8-6-5-7-15(18)20-23-21(25-24-20)29-13-17(26)14-9-10-19(27-2)16(22)12-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,24,25)