3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)Br

InChI

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