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

Systemtic Name: methyl 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H10ClF3N2O3S MolecularWeight: 414.78611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H10ClF3N2O3S/c1-26-15(25)8-2-4-10-12(6-8)22-16(27)23(14(10)24)13-7-9(17(19,20)21)3-5-11(13)18/h2-7H,1H3,(H,22,27)