N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]propanamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-keto-1H-quinazolin-2-yl)thio]propionamide Formula: C19H13F6N3O2S MolecularWeight: 461.380839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)SC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)SC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H13F6N3O2S/c1-9(31-17-27-14-5-3-2-4-13(14)16(30)28-17)15(29)26-12-7-10(18(20,21)22)6-11(8-12)19(23,24)25/h2-9H,1H3,(H,26,29)(H,27,28,30)