N-(methyl-oxidanylidene-phenyl-$l^{6}-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide

Systemtic Name: N-(methyl-oxidanylidene-phenyl-$l^{6}-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide Openeye Name: N-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide CAS Name: N-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-5-(2-phenylethynyl)-3-pyridinecarboxamide IUPAC Name: N-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide Traditional Name: N-(keto-methyl-phenyl-persulfuranylidene)-5-(2-phenylethynyl)nicotinamide Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[S@@](=NC(=O)C1=CN=CC(=C1)C#CC2=CC=CC=C2)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2S/c1-26(25,20-10-6-3-7-11-20)23-21(24)19-14-18(15-22-16-19)13-12-17-8-4-2-5-9-17/h2-11,14-16H,1H3/t26-/m1/s1