3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)benzamide Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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