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

Systemtic Name: ethyl 4-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C44H34N4O2S2 MolecularWeight: 714.89636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C44H34N4O2S2/c1-3-50-43(49)31-21-19-30(20-22-31)41-37(32-23-24-38-36(27-32)42(46-29-45-38)39-25-26-40(51-2)52-39)28-48(47-41)44(33-13-7-4-8-14-33,34-15-9-5-10-16-34)35-17-11-6-12-18-35/h4-29H,3H2,1-2H3