2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-5-(trifluoromethyl)-1,3-benzothiazole

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-5-(trifluoromethyl)-1,3-benzothiazole Openeye Name: 2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-5-(trifluoromethyl)-1,3-benzothiazole CAS Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-5-(trifluoromethyl)-1,3-benzothiazole IUPAC Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]-5-(trifluoromethyl)-1,3-benzothiazole Traditional Name: 2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole Formula: C28H20F3N3OS MolecularWeight: 503.53811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(S4)C=CC(=C5)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(S4)C=CC(=C5)C(F)(F)F

InChI

InChI=1S/C28H20F3N3OS/c1-4-13-35-20-10-11-22-21(15-20)25(18-7-5-17(6-8-18)16(2)3)34-26(32-22)27-33-23-14-19(28(29,30)31)9-12-24(23)36-27/h1,5-12,14-16H,13H2,2-3H3