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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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