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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C21H14ClF3N4O3S MolecularWeight: 494.87407

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(N=C2C(F)(F)F)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClF3N4O3S/c22-15-9-12(29(31)32)6-8-16(15)26-17(30)10-33-20-27-18-13-4-2-1-3-11(13)5-7-14(18)19(28-20)21(23,24)25/h1-4,6,8-9H,5,7,10H2,(H,26,30)