N-[4-(cyanomethyl)phenyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H18N4O2S/c22-12-11-14-5-7-15(8-6-14)23-19(26)13-28-21-24-18-4-2-1-3-17(18)20(27)25(21)16-9-10-16/h1-8,16H,9-11,13H2,(H,23,26)