1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride

Systemtic Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride Openeye Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-(2-thienyl)-4H-quinazoline dihydrochloride CAS Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride IUPAC Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline dihydrochloride Traditional Name: 1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-mesyl-4-(2-thienyl)-4H-quinazoline dihydrochloride Formula: C22H19Cl2FN4O2S2 MolecularWeight: 525.446263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1C(N=CN2C3=C(NN=C3)C4=CC=C(C=C4)F)C5=CC=CS5.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1C(N=CN2C3=C(NN=C3)C4=CC=C(C=C4)F)C5=CC=CS5.Cl.Cl

InChI

InChI=1S/C22H17FN4O2S2.2ClH/c1-31(28,29)19-6-2-4-16-20(19)22(18-5-3-11-30-18)24-13-27(16)17-12-25-26-21(17)14-7-9-15(23)10-8-14;;/h2-13,22H,1H3,(H,25,26);2*1H