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

Systemtic Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-2-oxo-chromene-3-carboxamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-2-oxochromene-3-carboxamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]-2-keto-chromene-3-carboxamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

InChI

InChI=1S/C22H16N4O3S/c1-2-30-21-17(13-23)19(25-26(21)15-9-4-3-5-10-15)24-20(27)16-12-14-8-6-7-11-18(14)29-22(16)28/h3-12H,2H2,1H3,(H,24,25,27)