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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C18H13ClF3N3O2S MolecularWeight: 427.82793

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N3O2S/c1-25-16(27)11-4-2-3-5-14(11)24-17(25)28-9-15(26)23-10-6-7-13(19)12(8-10)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)