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

Systemtic Name: 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline dihydrochloride Openeye Name: 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonyl-2-thienyl)quinazoline dihydrochloride CAS Name: 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonyl-2-thiophenyl)quinazoline dihydrochloride IUPAC Name: 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline dihydrochloride Traditional Name: 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-(5-mesyl-2-thienyl)quinazoline dihydrochloride Formula: C22H17Cl3N4O2S2 MolecularWeight: 539.88498

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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)C5=CC=C(C=C5)Cl.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=C(NN=C4)C5=CC=C(C=C5)Cl.Cl.Cl

InChI

InChI=1S/C22H15ClN4O2S2.2ClH/c1-31(28,29)20-9-8-19(30-20)22-16-10-14(4-7-18(16)24-12-25-22)17-11-26-27-21(17)13-2-5-15(23)6-3-13;;/h2-12H,1H3,(H,26,27);2*1H