2-sulfanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one

Systemtic Name: 2-sulfanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one Openeye Name: 2-thioxo-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 2-sulfanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-1H-quinazolin-4-one Traditional Name: 2-thioxo-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-1H-quinazolin-4-one Formula: C19H16F3N5O2S MolecularWeight: 435.42285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C19H16F3N5O2S/c20-19(21,22)12-2-4-15(23-10-12)26-5-7-27(8-6-26)17(29)11-1-3-13-14(9-11)24-18(30)25-16(13)28/h1-4,9-10H,5-8H2,(H2,24,25,28,30)