1-[3-(3,4-dimethoxyphenyl)-1-(triphenylmethyl)pyrazol-4-yl]-5-methylsulfanyl-4-thiophen-2-yl-4H-quinazoline

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-1-(triphenylmethyl)pyrazol-4-yl]-5-methylsulfanyl-4-thiophen-2-yl-4H-quinazoline Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-1-trityl-pyrazol-4-yl]-5-methylsulfanyl-4-(2-thienyl)-4H-quinazoline CAS Name: 1-[3-(3,4-dimethoxyphenyl)-1-(triphenylmethyl)-4-pyrazolyl]-5-(methylthio)-4-thiophen-2-yl-4H-quinazoline IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-1-tritylpyrazol-4-yl]-5-methylsulfanyl-4-thiophen-2-yl-4H-quinazoline Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-1-trityl-pyrazol-4-yl]-5-(methylthio)-4-(2-thienyl)-4H-quinazoline Formula: C43H36N4O2S2 MolecularWeight: 704.90154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2N3C=NC(C4=C3C=CC=C4SC)C5=CC=CS5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2N3C=NC(C4=C3C=CC=C4SC)C5=CC=CS5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OC

InChI

InChI=1S/C43H36N4O2S2/c1-48-36-25-24-30(27-37(36)49-2)41-35(46-29-44-42(39-23-14-26-51-39)40-34(46)21-13-22-38(40)50-3)28-47(45-41)43(31-15-7-4-8-16-31,32-17-9-5-10-18-32)33-19-11-6-12-20-33/h4-29,42H,1-3H3