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

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: 4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]butanoate IUPAC Name: 4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]butyrate Formula: C18H13Cl2N2O3S- MolecularWeight: 408.27842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N2O3S/c19-11-7-8-15(13(20)10-11)22-17(25)12-4-1-2-5-14(12)21-18(22)26-9-3-6-16(23)24/h1-2,4-5,7-8,10H,3,6,9H2,(H,23,24)/p-1