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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[1-(4-methylphenoxy)ethyl]-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[1-(4-methylphenoxy)ethyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-methyl-5-[1-(4-methylphenoxy)ethyl]-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-[1-(4-methylphenoxy)ethyl]-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-methyl-5-[1-(4-methylphenoxy)ethyl]-1,2,4-triazole Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3OS/c1-13-4-10-17(11-5-13)24-14(2)18-21-22-19(23(18)3)25-12-15-6-8-16(20)9-7-15/h4-11,14H,12H2,1-3H3