2-cyano-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C22H14N4O2S MolecularWeight: 398.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N4O2S/c23-12-15(21(24)29)10-16-13-26(17-7-2-1-3-8-17)25-20(16)18-11-14-6-4-5-9-19(14)28-22(18)27/h1-11,13H,(H2,24,29)