2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C21H22F3N5OS MolecularWeight: 449.49249

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)C4CCCCC4

InChI

InChI=1S/C21H22F3N5OS/c1-2-10-29-18(13-6-4-3-5-7-13)27-28-20(29)31-12-17-25-16-11-14(21(22,23)24)8-9-15(16)19(30)26-17/h2,8-9,11,13H,1,3-7,10,12H2,(H,25,26,30)