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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)Br

InChI

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