2-[1-[(2,4-dichlorophenyl)methyl]-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxidanylidene-4-sulfanylidene-quinazolin-3-yl]ethanoate Openeye Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-4-thioxo-quinazolin-3-yl]acetate CAS Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-4-sulfanylidene-3-quinazolinyl]acetate IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-oxo-4-sulfanylidenequinazolin-3-yl]acetate Traditional Name: 2-[1-(2,4-dichlorobenzyl)-2-keto-4-thioxo-quinazolin-3-yl]acetate Formula: C17H11Cl2N2O3S- MolecularWeight: 394.25184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Cl)Cl)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=S)N(C(=O)N2CC3=C(C=C(C=C3)Cl)Cl)CC(=O)[O-]

InChI

InChI=1S/C17H12Cl2N2O3S/c18-11-6-5-10(13(19)7-11)8-20-14-4-2-1-3-12(14)16(25)21(17(20)24)9-15(22)23/h1-7H,8-9H2,(H,22,23)/p-1