N-[1-[[2,6-bis(chloranyl)phenyl]methyl]-3,5-dimethyl-pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[1-[[2,6-bis(chloranyl)phenyl]methyl]-3,5-dimethyl-pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C27H22Cl2F3N5OS MolecularWeight: 592.46269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

InChI

InChI=1S/C27H22Cl2F3N5OS/c1-14-23(15(2)37(36-14)12-19-20(28)8-5-9-21(19)29)33-22(38)13-39-26-34-24-17-7-4-3-6-16(17)10-11-18(24)25(35-26)27(30,31)32/h3-9H,10-13H2,1-2H3,(H,33,38)