2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C17H21N6O2S2+ MolecularWeight: 405.51764

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H20N6O2S2/c1-2-7-21-13-19-23(17(21)26)14-20-8-10-22(11-9-20)27(24,25)16-6-4-3-5-15(16)12-18/h2-6,13H,1,7-11,14H2/p+1