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

Systemtic Name: 3-[1-(4-bromanylphenoxy)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[1-(4-bromophenoxy)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[1-(4-bromophenoxy)ethyl]-5-[(3-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[1-(4-bromophenoxy)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[1-(4-bromophenoxy)ethyl]-5-(m-anisylthio)-1,2,4-triazole Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1CC=C)SCC2=CC(=CC=C2)OC)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=NN=C(N1CC=C)SCC2=CC(=CC=C2)OC)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-4-12-25-20(15(2)27-18-10-8-17(22)9-11-18)23-24-21(25)28-14-16-6-5-7-19(13-16)26-3/h4-11,13,15H,1,12,14H2,2-3H3