5-(4-chlorophenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C28H22ClN3OS MolecularWeight: 484.01178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C(C(=NN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H22ClN3OS/c29-22-13-11-21(12-14-22)27-26(20-7-3-1-4-8-20)19-32(31-27)28(34)30-23-15-17-25(18-16-23)33-24-9-5-2-6-10-24/h1-18,26H,19H2,(H,30,34)