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

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

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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=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=N4

InChI

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