3-[(3-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 3-[(3-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-[(3-bromophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-(3-bromobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

InChI

InChI=1S/C16H11BrN2O3S/c17-11-3-1-2-9(6-11)8-19-14(20)12-5-4-10(15(21)22)7-13(12)18-16(19)23/h1-7H,8H2,(H,18,23)(H,21,22)