3-[2-chloranyl-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-N-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H17ClF3N3O3S MolecularWeight: 519.92329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C24H17ClF3N3O3S/c1-34-16-6-2-13(3-7-16)12-29-21(32)14-4-8-17-19(10-14)30-23(35)31(22(17)33)20-11-15(24(26,27)28)5-9-18(20)25/h2-11H,12H2,1H3,(H,29,32)(H,30,35)