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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(2-allylphenoxy)methyl]-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(2-allylphenoxy)methyl]-5-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4CC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4CC=C)Br

InChI

InChI=1S/C26H24BrN3O2S/c1-3-9-20-10-7-8-13-23(20)32-17-25-28-29-26(30(25)21-11-5-4-6-12-21)33-18-19-14-15-24(31-2)22(27)16-19/h3-8,10-16H,1,9,17-18H2,2H3