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

Systemtic Name: 4-(5-cyclopropylsulfonylthiophen-2-yl)-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 4-(5-cyclopropylsulfonyl-2-thienyl)-6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]quinazoline CAS Name: 4-(5-cyclopropylsulfonyl-2-thiophenyl)-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 4-(5-cyclopropylsulfonylthiophen-2-yl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline Traditional Name: 4-(5-cyclopropylsulfonyl-2-thienyl)-6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]quinazoline Formula: C43H31FN4O2S2 MolecularWeight: 718.860243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1S(=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

C1CC1S(=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/C43H31FN4O2S2/c44-34-19-16-29(17-20-34)41-37(30-18-23-38-36(26-30)42(46-28-45-38)39-24-25-40(51-39)52(49,50)35-21-22-35)27-48(47-41)43(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-20,23-28,35H,21-22H2