3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-13-6-3-4-9-16(13)23-11-17-20-21-18(22(17)2)24-12-14-7-5-8-15(19)10-14/h3-10H,11-12H2,1-2H3