3-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]methyl]benzoate Formula: C17H14F3N2O2S- MolecularWeight: 367.36547

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H15F3N2O2S/c18-17(19,20)14-12-6-1-2-7-13(12)21-16(22-14)25-9-10-4-3-5-11(8-10)15(23)24/h3-5,8H,1-2,6-7,9H2,(H,23,24)/p-1