N-ethyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-ethyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-ethyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-ethyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-ethyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-ethyl-3,5-bis(4-fluorophenyl)-2-pyrazoline-1-carbothioamide Formula: C18H17F2N3S MolecularWeight: 345.409486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17F2N3S/c1-2-21-18(24)23-17(13-5-9-15(20)10-6-13)11-16(22-23)12-3-7-14(19)8-4-12/h3-10,17H,2,11H2,1H3,(H,21,24)