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

Systemtic Name: 3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Openeye Name: 3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine CAS Name: 3-[5-[(3,4-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine IUPAC Name: 3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Traditional Name: 3-[5-[(3,4-dichlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Formula: C23H16Cl2N4S MolecularWeight: 451.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H16Cl2N4S/c1-29-22(27-28-23(29)30-15-18-9-10-20(24)21(25)12-18)19-11-17(13-26-14-19)8-7-16-5-3-2-4-6-16/h2-6,9-14H,15H2,1H3