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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazole Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-3-12-24-19(13-26-18-7-5-4-6-17(18)25-2)22-23-20(24)27-14-15-8-10-16(21)11-9-15/h3-11H,1,12-14H2,2H3