3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazole Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CCCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22BrN3OS/c1-24-19(5-3-4-15-8-12-18(25-2)13-9-15)22-23-20(24)26-14-16-6-10-17(21)11-7-16/h6-13H,3-5,14H2,1-2H3