4-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3-thienyl)quinazolin-4-yl]piperazino]sulfonylbenzonitrile Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CSC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CSC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C23H19N5O2S2/c24-15-17-5-7-19(8-6-17)32(29,30)28-12-10-27(11-13-28)23-20-3-1-2-4-21(20)25-22(26-23)18-9-14-31-16-18/h1-9,14,16H,10-13H2