N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C18H22FN3OS MolecularWeight: 347.450183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C18H22FN3OS/c1-11-14(12(2)22(3)21-11)5-7-18(23)20-16-8-9-24-17-6-4-13(19)10-15(16)17/h4,6,10,16H,5,7-9H2,1-3H3,(H,20,23)