3-(2,3-dimethylphenyl)-4-oxidanylidene-N-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-(2-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=N4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=N4)NC2=S)C

InChI

InChI=1S/C22H18N4O2S/c1-13-6-5-7-18(14(13)2)26-21(28)16-10-9-15(12-17(16)24-22(26)29)20(27)25-19-8-3-4-11-23-19/h3-12H,1-2H3,(H,24,29)(H,23,25,27)