3-methyl-7-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-methyl-7-[methyl-[4-(trifluoromethyl)benzyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C19H15F3N3O2S- MolecularWeight: 406.40151

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)N(C)CC3=CC=C(C=C3)C(F)(F)F)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)N(C)CC3=CC=C(C=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C19H16F3N3O2S/c1-24(10-11-3-6-13(7-4-11)19(20,21)22)16(26)12-5-8-14-15(9-12)23-18(28)25(2)17(14)27/h3-9,27H,10H2,1-2H3/p-1