3-[4-[(E)-(6-fluoranyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-(6-fluoranyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-(6-fluoro-4-oxo-thiochroman-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-(6-fluoro-4-oxo-1-benzothiopyran-3-ylidene)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-(6-fluoro-4-oxothiochromen-3-ylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-(6-fluoro-4-keto-thiochroman-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H16FN3OS MolecularWeight: 389.445343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C(=O)C4=C(S1)C=CC(=C4)F

Isomeric SMILES

C1/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C(=O)C4=C(S1)C=CC(=C4)F

InChI

InChI=1S/C22H16FN3OS/c23-18-7-8-20-19(12-18)22(27)17(14-28-20)11-16-13-26(10-4-9-24)25-21(16)15-5-2-1-3-6-15/h1-3,5-8,11-13H,4,10,14H2/b17-11-