N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C18H15ClFN3O2S MolecularWeight: 391.847003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN3O2S/c1-10-3-6-15-12(7-10)17(25)23(2)18(22-15)26-9-16(24)21-11-4-5-14(20)13(19)8-11/h3-8H,9H2,1-2H3,(H,21,24)