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

Systemtic Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C23H20ClN3OS MolecularWeight: 421.9424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=S)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=S)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3OS/c1-28-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(29)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,29)