N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide

Systemtic Name: N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide Openeye Name: N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide CAS Name: N-[anilino(sulfanylidene)methyl]-5-(2-phenylethynyl)-3-pyridinecarboxamide IUPAC Name: N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide Traditional Name: 5-(2-phenylethynyl)-N-(phenylthiocarbamoyl)nicotinamide Formula: C21H15N3OS MolecularWeight: 357.4283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H15N3OS/c25-20(24-21(26)23-19-9-5-2-6-10-19)18-13-17(14-22-15-18)12-11-16-7-3-1-4-8-16/h1-10,13-15H,(H2,23,24,25,26)