3-(3-methylpyridin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-(3-methylpyridin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-(3-methyl-2-pyridyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-methyl-2-pyridinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(3-methylpyridin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-methyl-2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylate Formula: C15H10N3O3S- MolecularWeight: 312.3232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C15H11N3O3S/c1-8-3-2-6-16-12(8)18-13(19)10-5-4-9(14(20)21)7-11(10)17-15(18)22/h2-7H,1H3,(H,17,22)(H,20,21)/p-1