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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(4-bromophenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(4-bromophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-benzyl-5-[(4-bromobenzyl)thio]-4-(m-tolyl)-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=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3S/c1-17-6-5-9-21(14-17)27-22(15-18-7-3-2-4-8-18)25-26-23(27)28-16-19-10-12-20(24)13-11-19/h2-14H,15-16H2,1H3