N-[(2-chlorophenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide CAS Name: N-[(2-chloroanilino)-sulfanylidenemethyl]-5-(2-phenylethynyl)-3-pyridinecarboxamide IUPAC Name: N-[(2-chlorophenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide Traditional Name: N-[(2-chlorophenyl)thiocarbamoyl]-5-(2-phenylethynyl)nicotinamide Formula: C21H14ClN3OS MolecularWeight: 391.87336

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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=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H14ClN3OS/c22-18-8-4-5-9-19(18)24-21(27)25-20(26)17-12-16(13-23-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14H,(H2,24,25,26,27)