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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)C

InChI

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