4-(5-methylsulfonylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride

Systemtic Name: 4-(5-methylsulfonylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride Openeye Name: 4-(5-methylsulfonyl-2-thienyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride CAS Name: 4-(5-methylsulfonyl-2-thiophenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride IUPAC Name: 4-(5-methylsulfonylthiophen-2-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride Traditional Name: 4-(5-mesyl-2-thienyl)-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinazoline dihydrochloride Formula: C17H13Cl2F3N4O2S2 MolecularWeight: 497.34193

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C(F)(F)F.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C17H11F3N4O2S2.2ClH/c1-28(25,26)14-5-4-13(27-14)15-10-6-9(2-3-12(10)21-8-22-15)11-7-23-24-16(11)17(18,19)20;;/h2-8H,1H3,(H,23,24);2*1H