(3S)-3-(2-fluorophenyl)-5-(4-methylphenyl)-N-(phenylmethyl)-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-3-(2-fluorophenyl)-5-(4-methylphenyl)-N-(phenylmethyl)-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-N-benzyl-3-(2-fluorophenyl)-5-(p-tolyl)-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3-(2-fluorophenyl)-5-(4-methylphenyl)-N-(phenylmethyl)-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-N-benzyl-3-(2-fluorophenyl)-5-(4-methylphenyl)-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-N-benzyl-5-(2-fluorophenyl)-3-(p-tolyl)-3-pyrazoline-1-carbothioamide Formula: C24H22FN3S MolecularWeight: 403.514983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)C(=S)NCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=S)NCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C24H22FN3S/c1-17-11-13-19(14-12-17)22-15-23(20-9-5-6-10-21(20)25)28(27-22)24(29)26-16-18-7-3-2-4-8-18/h2-15,23,27H,16H2,1H3,(H,26,29)/t23-/m0/s1