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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-methoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2,4-triazole Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br)OC

InChI

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