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

Systemtic Name: 3-[4-(4-bromophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-bromophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-bromophenyl)-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-bromophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-bromophenyl)-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C20H14BrClN4S MolecularWeight: 457.77396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)Cl

InChI

InChI=1S/C20H14BrClN4S/c21-16-7-9-17(10-8-16)26-19(14-5-3-11-23-12-14)24-25-20(26)27-13-15-4-1-2-6-18(15)22/h1-12H,13H2