2-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazino]sulfonylbenzonitrile Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H19N5O4S2/c21-13-15-3-1-2-4-17(15)31(27,28)25-10-8-24(9-11-25)19(26)6-5-18-22-20(23-29-18)16-7-12-30-14-16/h1-4,7,12,14H,5-6,8-11H2