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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C26H21ClF3N5OS MolecularWeight: 543.99105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

InChI

InChI=1S/C26H21ClF3N5OS/c1-15-12-21(34-35(15)13-16-6-9-18(27)10-7-16)31-22(36)14-37-25-32-23-19-5-3-2-4-17(19)8-11-20(23)24(33-25)26(28,29)30/h2-7,9-10,12H,8,11,13-14H2,1H3,(H,31,34,36)