(3R)-3-(4-fluorophenyl)-N-(phenylmethyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-3-(4-fluorophenyl)-N-(phenylmethyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-N-benzyl-3-(4-fluorophenyl)-5-(2-thienyl)-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3R)-3-(4-fluorophenyl)-N-(phenylmethyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-N-benzyl-5-(4-fluorophenyl)-3-(2-thienyl)-3-pyrazoline-1-carbothioamide Formula: C21H18FN3S2 MolecularWeight: 395.516123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)N2C(C=C(N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N2[C@H](C=C(N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3S2/c22-17-10-8-16(9-11-17)19-13-18(20-7-4-12-27-20)24-25(19)21(26)23-14-15-5-2-1-3-6-15/h1-13,19,24H,14H2,(H,23,26)/t19-/m1/s1