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

Systemtic Name: 3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Openeye Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-5-(2-phenylethynyl)pyridine CAS Name: 3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine IUPAC Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-5-(2-phenylethynyl)pyridine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-5-(2-phenylethynyl)pyridine Formula: C23H18N4S MolecularWeight: 382.48082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4S/c1-27-22(25-26-23(27)28-17-19-10-6-3-7-11-19)21-14-20(15-24-16-21)13-12-18-8-4-2-5-9-18/h2-11,14-16H,17H2,1H3