N-(3-chloranyl-4-cyano-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)CCCO

InChI

InChI=1S/C20H17ClN4O3S/c21-16-10-14(7-6-13(16)11-22)23-18(27)12-29-20-24-17-5-2-1-4-15(17)19(28)25(20)8-3-9-26/h1-2,4-7,10,26H,3,8-9,12H2,(H,23,27)