6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)quinazoline

Systemtic Name: 6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)quinazoline Openeye Name: 6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)quinazoline CAS Name: 6-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]quinazoline IUPAC Name: 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)quinazoline Traditional Name: 6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]-4-(5-pyrrolidinosulfonyl-2-thienyl)quinazoline Formula: C44H34FN5O2S2 MolecularWeight: 747.901463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NC=NC4=C3C=C(C=C4)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)C3=NC=NC4=C3C=C(C=C4)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/C44H34FN5O2S2/c45-36-21-18-31(19-22-36)42-38(29-50(48-42)44(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35)32-20-23-39-37(28-32)43(47-30-46-39)40-24-25-41(53-40)54(51,52)49-26-10-11-27-49/h1-9,12-25,28-30H,10-11,26-27H2