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

Systemtic Name: 4-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H17N5O3S2/c19-11-14-1-3-16(4-2-14)28(24,25)23-8-6-22(7-9-23)12-17-20-18(21-26-17)15-5-10-27-13-15/h1-5,10,13H,6-9,12H2