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

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[1-(o-tolylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-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=CC=C1CN2C=C(C=N2)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

InChI

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