N-[(E)-2-cyano-3-oxidanylidene-3-(3-oxidanylidenechromeno[2,3-c]pyrazol-2-yl)-1-sulfanyl-prop-1-enyl]benzamide

Systemtic Name: N-[(E)-2-cyano-3-oxidanylidene-3-(3-oxidanylidenechromeno[2,3-c]pyrazol-2-yl)-1-sulfanyl-prop-1-enyl]benzamide Openeye Name: N-[(E)-2-cyano-3-oxo-3-(3-oxochromeno[2,3-c]pyrazol-2-yl)-1-sulfanyl-prop-1-enyl]benzamide CAS Name: N-[(E)-2-cyano-1-mercapto-3-oxo-3-(3-oxo-2-[1]benzopyrano[2,3-c]pyrazolyl)prop-1-enyl]benzamide IUPAC Name: N-[(E)-2-cyano-3-oxo-3-(3-oxochromeno[2,3-c]pyrazol-2-yl)-1-sulfanylprop-1-enyl]benzamide Traditional Name: N-[(E)-2-cyano-3-keto-3-(3-ketochromeno[2,3-c]pyrazol-2-yl)-1-mercapto-prop-1-enyl]benzamide Formula: C21H12N4O4S MolecularWeight: 416.40938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=C(C#N)C(=O)N2C(=O)C3=CC4=CC=CC=C4OC3=N2)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C(/C#N)\C(=O)N2C(=O)C3=CC4=CC=CC=C4OC3=N2)/S

InChI

InChI=1S/C21H12N4O4S/c22-11-15(19(30)23-17(26)12-6-2-1-3-7-12)21(28)25-20(27)14-10-13-8-4-5-9-16(13)29-18(14)24-25/h1-10,30H,(H,23,26)/b19-15+