2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 2-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]-3-quinolinecarboxylate IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]quinoline-3-carboxylate Formula: C19H12N3O3S- MolecularWeight: 362.38188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC(=O)C4=CC=CC=C4N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC(=O)C4=CC=CC=C4N3)C(=O)[O-]

InChI

InChI=1S/C19H13N3O3S/c23-17-12-6-2-4-8-15(12)21-19(22-17)26-10-16-13(18(24)25)9-11-5-1-3-7-14(11)20-16/h1-9H,10H2,(H,24,25)(H,21,22,23)/p-1