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

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C21H20F3N5OS MolecularWeight: 447.47661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)CSC2=NC3=C(CCC4=CC=CC=C43)C(=N2)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)CSC2=NC3=C(CCC4=CC=CC=C43)C(=N2)C(F)(F)F)C

InChI

InChI=1S/C21H20F3N5OS/c1-12-14(10-29(2)28-12)9-25-17(30)11-31-20-26-18-15-6-4-3-5-13(15)7-8-16(18)19(27-20)21(22,23)24/h3-6,10H,7-9,11H2,1-2H3,(H,25,30)