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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-3-(3-oxidanylpyridin-2-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(3-hydroxy-2-pyridyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(3-hydroxy-2-pyridinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(3-hydroxypyridin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-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(=C(N=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S)O

Isomeric SMILES

C1=CC(=C(N=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S)O

InChI

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