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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4,5-bis(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)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC(=CC=C4)Br

InChI

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