N-[5-azanyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]thiomorpholine-4-carboxamide

Systemtic Name: N-[5-azanyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]thiomorpholine-4-carboxamide Openeye Name: N-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]thiomorpholine-4-carboxamide CAS Name: N-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]-4-pyrazolyl]-4-thiomorpholinecarboxamide IUPAC Name: N-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]thiomorpholine-4-carboxamide Traditional Name: N-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]thiomorpholine-4-carboxamide Formula: C21H20F3N5OS MolecularWeight: 447.47661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)NC2=C(N(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)N

Isomeric SMILES

C1CSCCN1C(=O)NC2=C(N(N=C2C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)N

InChI

InChI=1S/C21H20F3N5OS/c22-21(23,24)15-6-8-16(9-7-15)29-19(25)18(17(27-29)14-4-2-1-3-5-14)26-20(30)28-10-12-31-13-11-28/h1-9H,10-13,25H2,(H,26,30)