(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C18H16F3N5O2S MolecularWeight: 423.41215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1C(=O)C2=CC=CC=C2NC1=S)N3C(=CC(=N3)C(F)(F)F)C4CC4

Isomeric SMILES

C[C@H](C(=O)NN1C(=O)C2=CC=CC=C2NC1=S)N3C(=CC(=N3)C(F)(F)F)C4CC4

InChI

InChI=1S/C18H16F3N5O2S/c1-9(25-13(10-6-7-10)8-14(23-25)18(19,20)21)15(27)24-26-16(28)11-4-2-3-5-12(11)22-17(26)29/h2-5,8-10H,6-7H2,1H3,(H,22,29)(H,24,27)/t9-/m1/s1