N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C19H15FN4O2S MolecularWeight: 382.411403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H15FN4O2S/c20-13-6-8-14(9-7-13)24(11-3-10-21)17(25)12-27-19-22-16-5-2-1-4-15(16)18(26)23-19/h1-2,4-9H,3,11-12H2,(H,22,23,26)