4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline Openeye Name: 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-2-(trifluoromethyl)quinazoline Traditional Name: 4-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-2-(trifluoromethyl)quinazoline Formula: C18H15F3N4O2S2 MolecularWeight: 440.46251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O2S2/c19-18(20,21)17-23-14-6-2-1-5-13(14)16(24-17)28-15-8-7-12(11-22-15)29(26,27)25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10H2