1-[3-(4-methoxyphenyl)-1-(triphenylmethyl)pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline

Systemtic Name: 1-[3-(4-methoxyphenyl)-1-(triphenylmethyl)pyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline Openeye Name: 1-[3-(4-methoxyphenyl)-1-trityl-pyrazol-4-yl]-5-methylsulfonyl-4-(2-thienyl)-4H-quinazoline CAS Name: 1-[3-(4-methoxyphenyl)-1-(triphenylmethyl)-4-pyrazolyl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline IUPAC Name: 1-[3-(4-methoxyphenyl)-1-tritylpyrazol-4-yl]-5-methylsulfonyl-4-thiophen-2-yl-4H-quinazoline Traditional Name: 5-mesyl-1-[3-(4-methoxyphenyl)-1-trityl-pyrazol-4-yl]-4-(2-thienyl)-4H-quinazoline Formula: C42H34N4O3S2 MolecularWeight: 706.87436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2N3C=NC(C4=C3C=CC=C4S(=O)(=O)C)C5=CC=CS5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2N3C=NC(C4=C3C=CC=C4S(=O)(=O)C)C5=CC=CS5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H34N4O3S2/c1-49-34-25-23-30(24-26-34)40-36(45-29-43-41(37-21-13-27-50-37)39-35(45)20-12-22-38(39)51(2,47)48)28-46(44-40)42(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-29,41H,1-2H3