4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: 4-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: 4-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]butanoate IUPAC Name: 4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]butyrate Formula: C18H14ClN2O3S- MolecularWeight: 373.83336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15ClN2O3S/c19-12-5-3-6-13(11-12)21-17(24)14-7-1-2-8-15(14)20-18(21)25-10-4-9-16(22)23/h1-3,5-8,11H,4,9-10H2,(H,22,23)/p-1