3-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1-(triphenylmethyl)pyrazol-3-yl]benzenecarbonitrile Openeye Name: 3-[4-[4-(5-methylsulfonyl-2-thienyl)quinazolin-6-yl]-1-trityl-pyrazol-3-yl]benzonitrile CAS Name: 3-[4-[4-(5-methylsulfonyl-2-thiophenyl)-6-quinazolinyl]-1-(triphenylmethyl)-3-pyrazolyl]benzonitrile IUPAC Name: 3-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1-tritylpyrazol-3-yl]benzonitrile Traditional Name: 3-[4-[4-(5-mesyl-2-thienyl)quinazolin-6-yl]-1-trityl-pyrazol-3-yl]benzonitrile Formula: C42H29N5O2S2 MolecularWeight: 699.84196

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4C5=CC=CC(=C5)C#N)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C2=NC=NC3=C2C=C(C=C3)C4=CN(N=C4C5=CC=CC(=C5)C#N)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H29N5O2S2/c1-51(48,49)39-23-22-38(50-39)41-35-25-30(20-21-37(35)44-28-45-41)36-27-47(46-40(36)31-13-11-12-29(24-31)26-43)42(32-14-5-2-6-15-32,33-16-7-3-8-17-33)34-18-9-4-10-19-34/h2-25,27-28H,1H3