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

Systemtic Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Openeye Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine CAS Name: 3-[5-[(2-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine IUPAC Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Traditional Name: 3-[5-[(2-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CN=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H17ClN4S/c1-28-22(26-27-23(28)29-16-19-9-5-6-10-21(19)24)20-13-18(14-25-15-20)12-11-17-7-3-2-4-8-17/h2-10,13-15H,16H2,1H3