1-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline

Systemtic Name: 1-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline Openeye Name: 1-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)-4H-quinazoline CAS Name: 1-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-4H-quinazoline IUPAC Name: 1-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-4H-quinazoline Traditional Name: 1-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-(5-pyrrolidinosulfonyl-2-thienyl)-4H-quinazoline Formula: C44H36FN5O2S2 MolecularWeight: 749.917343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C3C4=CC=CC=C4N(C=N3)C5=CN(N=C5C6=CC=C(C=C6)F)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C3C4=CC=CC=C4N(C=N3)C5=CN(N=C5C6=CC=C(C=C6)F)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C44H36FN5O2S2/c45-36-24-22-32(23-25-36)42-39(30-50(47-42)44(33-14-4-1-5-15-33,34-16-6-2-7-17-34)35-18-8-3-9-19-35)49-31-46-43(37-20-10-11-21-38(37)49)40-26-27-41(53-40)54(51,52)48-28-12-13-29-48/h1-11,14-27,30-31,43H,12-13,28-29H2