1-ethyl-2-[[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid hydrochloride

Systemtic Name: 1-ethyl-2-[[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid hydrochloride Openeye Name: 1-ethyl-2-[[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid hydrochloride CAS Name: 1-ethyl-2-[[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-5-benzimidazolecarboxylic acid hydrochloride IUPAC Name: 1-ethyl-2-[[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzimidazole-5-carboxylic acid hydrochloride Traditional Name: 1-ethyl-2-[[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzimidazole-5-carboxylic acid hydrochloride Formula: C25H20ClFN4O3S MolecularWeight: 510.967703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F.Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F.Cl

InChI

InChI=1S/C25H19FN4O3S.ClH/c1-2-29-21-12-11-15(24(32)33)13-19(21)27-22(29)14-34-25-28-18-9-5-3-7-16(18)23(31)30(25)20-10-6-4-8-17(20)26;/h3-13H,2,14H2,1H3,(H,32,33);1H