N-[4-(pyridin-4-ylmethyl)phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(pyridin-4-ylmethyl)phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-(4-pyridylmethyl)phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[4-(pyridin-4-ylmethyl)phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[4-(pyridin-4-ylmethyl)phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[4-(4-pyridylmethyl)phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C27H21F3N4OS MolecularWeight: 506.54205

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(N=C2C(F)(F)F)SCC(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(N=C2C(F)(F)F)SCC(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5

InChI

InChI=1S/C27H21F3N4OS/c28-27(29,30)25-22-10-7-19-3-1-2-4-21(19)24(22)33-26(34-25)36-16-23(35)32-20-8-5-17(6-9-20)15-18-11-13-31-14-12-18/h1-6,8-9,11-14H,7,10,15-16H2,(H,32,35)