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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)propyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazole Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3OS/c1-3-15-26-21(6-4-5-17-9-13-20(27-2)14-10-17)24-25-22(26)28-16-18-7-11-19(23)12-8-18/h3,7-14H,1,4-6,15-16H2,2H3