N-[4-(4-chloranylphenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-[4-(4-chloranylphenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-[4-(4-chlorophenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-[4-(4-chlorophenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-[4-(4-chlorophenoxy)phenyl]-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-[4-(4-chlorophenoxy)phenyl]-3-(4-chlorophenyl)-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C28H21Cl2N3OS MolecularWeight: 518.45684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21Cl2N3OS/c29-21-8-6-20(7-9-21)27-26(19-4-2-1-3-5-19)18-33(32-27)28(35)31-23-12-16-25(17-13-23)34-24-14-10-22(30)11-15-24/h1-17,26H,18H2,(H,31,35)