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

Systemtic Name: N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[1-(p-tolylmethyl)pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[1-(4-methylbenzyl)pyrazol-3-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C26H22F3N5OS MolecularWeight: 509.54599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

InChI

InChI=1S/C26H22F3N5OS/c1-16-6-8-17(9-7-16)14-34-13-12-21(33-34)30-22(35)15-36-25-31-23-19-5-3-2-4-18(19)10-11-20(23)24(32-25)26(27,28)29/h2-9,12-13H,10-11,14-15H2,1H3,(H,30,33,35)