1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-(6-fluorothiochroman-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1-(6-fluorothiochroman-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C20H19FN4OS MolecularWeight: 382.454463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)NCC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)NCC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)F

InChI

InChI=1S/C20H19FN4OS/c21-15-6-7-19-17(10-15)18(8-9-27-19)24-20(26)22-11-14-12-23-25(13-14)16-4-2-1-3-5-16/h1-7,10,12-13,18H,8-9,11H2,(H2,22,24,26)