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

Systemtic Name: 4-(5-ethylsulfonylthiophen-2-yl)-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 4-(5-ethylsulfonyl-2-thienyl)-6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]quinazoline CAS Name: 4-(5-ethylsulfonyl-2-thiophenyl)-6-[3-(4-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 4-(5-ethylsulfonylthiophen-2-yl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline Traditional Name: 4-(5-esyl-2-thienyl)-6-[3-(4-fluorophenyl)-1-trityl-pyrazol-4-yl]quinazoline Formula: C42H31FN4O2S2 MolecularWeight: 706.849543

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4C5=CC=C(C=C5)F)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4C5=CC=C(C=C5)F)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H31FN4O2S2/c1-2-51(48,49)39-25-24-38(50-39)41-35-26-30(20-23-37(35)44-28-45-41)36-27-47(46-40(36)29-18-21-34(43)22-19-29)42(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-28H,2H2,1H3