4-methyl-3-[5-(2-phenylethynyl)pyridin-3-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-methyl-3-[5-(2-phenylethynyl)pyridin-3-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-methyl-3-[5-(2-phenylethynyl)-3-pyridyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[5-(2-phenylethynyl)-3-pyridinyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-methyl-3-[5-(2-phenylethynyl)pyridin-3-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-[5-(2-phenylethynyl)-3-pyridyl]-1H-1,2,4-triazole-5-thione Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=CN=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NNC1=S)C2=CN=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C16H12N4S/c1-20-15(18-19-16(20)21)14-9-13(10-17-11-14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3,(H,19,21)