3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H15F3N4OS MolecularWeight: 368.37671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C(F)(F)F

InChI

InChI=1S/C16H15F3N4OS/c1-10-9-13(16(17,18)19)21-23(10)8-4-7-22-14(24)11-5-2-3-6-12(11)20-15(22)25/h2-3,5-6,9H,4,7-8H2,1H3,(H,20,25)