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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-ethoxybenzyl)-4-methyl-1,2,4-triazole Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-4-26-16-8-5-14(6-9-16)12-19-22-23-20(24(19)2)27-13-15-7-10-18(25-3)17(21)11-15/h5-11H,4,12-13H2,1-3H3