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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(3-methylpyridin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(3-methyl-2-pyridyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(3-methylpyridin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-N-(3-methyl-2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H17ClN4O2S/c1-13-5-4-10-24-19(13)26-20(28)14-8-9-16-18(11-14)25-22(30)27(21(16)29)12-15-6-2-3-7-17(15)23/h2-11H,12H2,1H3,(H,25,30)(H,24,26,28)