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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(2-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-propoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(2-propoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-3-10-27-17-7-5-4-6-14(17)19-22-20(24-23-19)28-12-16(25)13-8-9-18(26-2)15(21)11-13/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,24)