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

Systemtic Name: 3-[4-(4-bromophenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-bromophenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-bromophenyl)-5-[(3,4-dichlorophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-bromophenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-bromophenyl)-5-[(3,4-dichlorobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C20H13BrCl2N4S MolecularWeight: 492.21902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrCl2N4S/c21-15-4-6-16(7-5-15)27-19(14-2-1-9-24-11-14)25-26-20(27)28-12-13-3-8-17(22)18(23)10-13/h1-11H,12H2