N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(6-fluorothiochroman-4-yl)pyrazole-4-carboxamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(6-fluorothiochroman-4-yl)pyrazole-4-carboxamide Formula: C20H18FN3OS MolecularWeight: 367.439823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)C=C(C=C2)F

InChI

InChI=1S/C20H18FN3OS/c21-16-6-7-19-17(10-16)18(8-9-26-19)23-20(25)15-11-22-24(13-15)12-14-4-2-1-3-5-14/h1-7,10-11,13,18H,8-9,12H2,(H,23,25)