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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

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