4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxylate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C17H14N2O3S/c20-15-13-7-6-12(16(21)22)10-14(13)18-17(23)19(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,23)(H,21,22)/p-1