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

Systemtic Name: 3,5-bis(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3,5-bis(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3,5-bis(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3,5-bis(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3,5-bis(4-fluorophenyl)-N-(4-methoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C23H19F2N3OS MolecularWeight: 423.478266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H19F2N3OS/c1-29-20-12-10-19(11-13-20)26-23(30)28-22(16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-13,22H,14H2,1H3,(H,26,30)