3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-N-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=N4)NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=N4)NC2=S)Cl

InChI

InChI=1S/C21H15ClN4O2S/c22-16-6-2-1-5-14(16)12-26-20(28)15-9-8-13(11-17(15)24-21(26)29)19(27)25-18-7-3-4-10-23-18/h1-11H,12H2,(H,24,29)(H,23,25,27)