N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-2-oxo-chromene-3-carboxamide CAS Name: N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)-2-oxochromene-3-carboxamide Traditional Name: N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]-2-keto-chromene-3-carboxamide Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

InChI

InChI=1S/C21H14N4O3S/c1-29-20-16(12-22)18(24-25(20)14-8-3-2-4-9-14)23-19(26)15-11-13-7-5-6-10-17(13)28-21(15)27/h2-11H,1H3,(H,23,24,26)