4-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazino]sulfonylbenzonitrile Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H21N5O2S2/c1-17-2-6-19(7-3-17)21-15-32-24-22(21)23(26-16-27-24)28-10-12-29(13-11-28)33(30,31)20-8-4-18(14-25)5-9-20/h2-9,15-16H,10-13H2,1H3