3-(4-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-[(2,4-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-[(2,4-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-[(2,4-dimethylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H20BrN3S MolecularWeight: 450.394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H20BrN3S/c1-16-8-9-19(17(2)14-16)15-28-23-26-25-22(18-10-12-20(24)13-11-18)27(23)21-6-4-3-5-7-21/h3-14H,15H2,1-2H3