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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(2-isopropylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(2-isopropylphenoxy)methyl]-1,2,4-triazole Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3OS/c1-4-13-26-21(14-27-20-8-6-5-7-19(20)16(2)3)24-25-22(26)28-15-17-9-11-18(23)12-10-17/h4-12,16H,1,13-15H2,2-3H3