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

Systemtic Name: 4,5-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 4,5-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-benzofuran-5-yl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 4,5-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-benzofuran-5-yl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 4,5-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3,4-bis(4-chlorophenyl)-N-(2,2-dimethylcoumaran-5-yl)-2-pyrazoline-1-carbothioamide Formula: C26H23Cl2N3OS MolecularWeight: 496.45132

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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=C(C=C5)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23Cl2N3OS/c1-26(2)14-18-13-21(11-12-23(18)32-26)29-25(33)31-15-22(16-3-7-19(27)8-4-16)24(30-31)17-5-9-20(28)10-6-17/h3-13,22H,14-15H2,1-2H3,(H,29,33)