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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-[(3,5-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(=CC(=C1)OCC2=NN=C(N2C)SCC3=CC(=CC=C3)Br)C

Isomeric SMILES

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

InChI

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