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

Systemtic Name: 2-[4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[5-(2-thienyl)tetrazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-thiophen-2-yl-2-tetrazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[5-(2-thienyl)tetrazol-2-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C17H18N7O2S2+ MolecularWeight: 416.50052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2N=C(N=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CN2N=C(N=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C17H17N7O2S2/c18-12-14-4-1-2-6-16(14)28(25,26)23-9-7-22(8-10-23)13-24-20-17(19-21-24)15-5-3-11-27-15/h1-6,11H,7-10,13H2/p+1