N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(4S)-thiochroman-4-yl]imidazole-4-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[(4S)-thiochroman-4-yl]imidazole-4-carboxamide Formula: C20H18FN3OS2 MolecularWeight: 399.504823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C20H18FN3OS2/c1-26-20-22-12-17(24(20)14-8-6-13(21)7-9-14)19(25)23-16-10-11-27-18-5-3-2-4-15(16)18/h2-9,12,16H,10-11H2,1H3,(H,23,25)/t16-/m0/s1