4-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]benzenecarbonitrile Openeye Name: 4-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]benzonitrile CAS Name: 4-[4-[4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]-6-quinazolinyl]-1H-pyrazol-5-yl]benzonitrile IUPAC Name: 4-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]benzonitrile Traditional Name: 4-[4-[4-[4-(3-mesylphenyl)piperazino]quinazolin-6-yl]-1H-pyrazol-5-yl]benzonitrile Formula: C29H25N7O2S MolecularWeight: 535.6195

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC=C(C=C6)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C29H25N7O2S/c1-39(37,38)24-4-2-3-23(16-24)35-11-13-36(14-12-35)29-25-15-22(9-10-27(25)31-19-32-29)26-18-33-34-28(26)21-7-5-20(17-30)6-8-21/h2-10,15-16,18-19H,11-14H2,1H3,(H,33,34)