4-[2-(2-phenylethynyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(2-phenylethynyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(2-phenylethynyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(2-phenylethynyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(2-phenylethynyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[2-(2-phenylethynyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C16H11N3S MolecularWeight: 277.34364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2N3C=NNC3=S

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2N3C=NNC3=S

InChI

InChI=1S/C16H11N3S/c20-16-18-17-12-19(16)15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H,(H,18,20)