3-[(4-bromanylphenoxy)methyl]-4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-[(4-bromophenoxy)methyl]-5-(methylthio)-4-p-phenetyl-1,2,4-triazole Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-3-23-15-10-6-14(7-11-15)22-17(20-21-18(22)25-2)12-24-16-8-4-13(19)5-9-16/h4-11H,3,12H2,1-2H3