3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methyl-2-naphthyl)oxymethyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-methyl-5-[(1-methyl-2-naphthalenyl)oxymethyl]-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-methyl-5-[(1-methyl-2-naphthoxy)methyl]-1,2,4-triazole Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3C)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3C)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3OS/c1-15-19-6-4-3-5-17(19)9-12-20(15)27-13-21-24-25-22(26(21)2)28-14-16-7-10-18(23)11-8-16/h3-12H,13-14H2,1-2H3