3-[4-(4-bromophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(4-bromophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-bromophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-bromophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-bromophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-bromophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4S MolecularWeight: 437.35548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C21H17BrN4S/c1-15-5-2-3-6-17(15)14-27-21-25-24-20(16-7-4-12-23-13-16)26(21)19-10-8-18(22)9-11-19/h2-13H,14H2,1H3