3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole Formula: C23H20BrN3S MolecularWeight: 450.394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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