4-[(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate

Systemtic Name: 4-[(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate Openeye Name: 4-[(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoate CAS Name: 4-[(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate IUPAC Name: 4-[(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoate Traditional Name: 4-[(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoate Formula: C16H10ClN2O3S- MolecularWeight: 345.7802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)[O-]

InChI

InChI=1S/C16H11ClN2O3S/c17-11-5-6-12-13(7-11)18-16(23)19(14(12)20)8-9-1-3-10(4-2-9)15(21)22/h1-7H,8H2,(H,18,23)(H,21,22)/p-1