2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]propanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]propanamide Openeye Name: 2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide CAS Name: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-(2,3,4-trifluorophenyl)propanamide IUPAC Name: 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2,3,4-trifluorophenyl)propionamide Formula: C18H14F3N3O2S MolecularWeight: 393.38287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C18H14F3N3O2S/c1-9(16(25)22-13-8-7-11(19)14(20)15(13)21)27-18-23-12-6-4-3-5-10(12)17(26)24(18)2/h3-9H,1-2H3,(H,22,25)