5-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile Openeye Name: 5-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile CAS Name: 5-[4-[4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]-6-quinazolinyl]-1H-pyrazol-5-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[4-[4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile Traditional Name: 5-[4-[4-[4-(3-mesylphenyl)piperazino]quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile Formula: C27H23N7O2S2 MolecularWeight: 541.64722

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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(S6)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(S6)C#N

InChI

InChI=1S/C27H23N7O2S2/c1-38(35,36)21-4-2-3-19(14-21)33-9-11-34(12-10-33)27-22-13-18(5-7-24(22)29-17-30-27)23-16-31-32-26(23)25-8-6-20(15-28)37-25/h2-8,13-14,16-17H,9-12H2,1H3,(H,31,32)