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

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-thioacrylamide Formula: C21H14N4OS MolecularWeight: 370.42706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=S)N

InChI

InChI=1S/C21H14N4OS/c22-12-15(21(23)27)10-16-13-25(17-7-2-1-3-8-17)24-20(16)19-11-14-6-4-5-9-18(14)26-19/h1-11,13H,(H2,23,27)