6-[3-(6-tert-butyl-5-methyl-cyclohexa-1,5-dien-1-yl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline

Systemtic Name: 6-[3-(6-tert-butyl-5-methyl-cyclohexa-1,5-dien-1-yl)-1-(triphenylmethyl)pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline Openeye Name: 6-[3-(6-tert-butyl-5-methyl-cyclohexa-1,5-dien-1-yl)-1-trityl-pyrazol-4-yl]-4-(5-methylsulfonyl-2-thienyl)quinazoline CAS Name: 6-[3-(6-tert-butyl-5-methyl-1-cyclohexa-1,5-dienyl)-1-(triphenylmethyl)-4-pyrazolyl]-4-(5-methylsulfonyl-2-thiophenyl)quinazoline IUPAC Name: 6-[3-(6-tert-butyl-5-methylcyclohexa-1,5-dien-1-yl)-1-tritylpyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline Traditional Name: 6-[3-(6-tert-butyl-5-methyl-cyclohexa-1,5-dien-1-yl)-1-trityl-pyrazol-4-yl]-4-(5-mesyl-2-thienyl)quinazoline Formula: C46H42N4O2S2 MolecularWeight: 746.98128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CCC1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)S(=O)(=O)C)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CCC1)C2=NN(C=C2C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)S(=O)(=O)C)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(C)(C)C

InChI

InChI=1S/C46H42N4O2S2/c1-31-16-15-23-36(42(31)45(2,3)4)43-38(32-24-25-39-37(28-32)44(48-30-47-39)40-26-27-41(53-40)54(5,51)52)29-50(49-43)46(33-17-9-6-10-18-33,34-19-11-7-12-20-34)35-21-13-8-14-22-35/h6-14,17-30H,15-16H2,1-5H3