5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-(2,2-dimethylcoumaran-5-yl)-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C26H24ClN3OS MolecularWeight: 462.00626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=CC(=C2)NC(=S)N3CC(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(O1)C=CC(=C2)NC(=S)N3CC(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C

InChI

InChI=1S/C26H24ClN3OS/c1-26(2)15-19-14-21(12-13-23(19)31-26)28-25(32)30-16-22(17-6-4-3-5-7-17)24(29-30)18-8-10-20(27)11-9-18/h3-14,22H,15-16H2,1-2H3,(H,28,32)