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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)Cl

InChI

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