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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-(3-oxidanylpyridin-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-(3-hydroxy-2-pyridyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-3-(3-hydroxy-2-pyridinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-(3-hydroxypyridin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-3-(3-hydroxy-2-pyridyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC=N4)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC=N4)O

InChI

InChI=1S/C21H15ClN4O3S/c22-14-4-1-3-12(9-14)11-24-19(28)13-6-7-15-16(10-13)25-21(30)26(20(15)29)18-17(27)5-2-8-23-18/h1-10,27H,11H2,(H,24,28)(H,25,30)