3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(2-isopropoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(2-isopropoxyphenyl)-1H-1,2,4-triazole Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H20BrN3O2S/c1-12(2)25-16-7-5-4-6-14(16)18-21-19(23-22-18)26-11-13-8-9-17(24-3)15(20)10-13/h4-10,12H,11H2,1-3H3,(H,21,22,23)