methyl 4-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]benzoate

Systemtic Name: methyl 4-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]benzoate Openeye Name: methyl 4-[4-[4-(5-methylsulfanyl-2-thienyl)quinazolin-6-yl]-1-trityl-pyrazol-3-yl]benzoate CAS Name: 4-[4-[4-[5-(methylthio)-2-thiophenyl]-6-quinazolinyl]-1-(triphenylmethyl)-3-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-tritylpyrazol-3-yl]benzoate Traditional Name: 4-[4-[4-[5-(methylthio)-2-thienyl]quinazolin-6-yl]-1-trityl-pyrazol-3-yl]benzoic acid methyl ester Formula: C43H32N4O2S2 MolecularWeight: 700.86978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)SC)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)SC)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C43H32N4O2S2/c1-49-42(48)30-20-18-29(19-21-30)40-36(31-22-23-37-35(26-31)41(45-28-44-37)38-24-25-39(50-2)51-38)27-47(46-40)43(32-12-6-3-7-13-32,33-14-8-4-9-15-33)34-16-10-5-11-17-34/h3-28H,1-2H3