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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(4-isopropoxyphenyl)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-isopropoxybenzyl)-4-methyl-1,2,4-triazole Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-14(2)27-17-8-5-15(6-9-17)12-20-23-24-21(25(20)3)28-13-16-7-10-19(26-4)18(22)11-16/h5-11,14H,12-13H2,1-4H3