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

Systemtic Name: 2-[4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-phenyl-2-tetrazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C19H20N7O2S+ MolecularWeight: 410.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O2S/c20-14-17-8-4-5-9-18(17)29(27,28)25-12-10-24(11-13-25)15-26-22-19(21-23-26)16-6-2-1-3-7-16/h1-9H,10-13,15H2/p+1