2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H24N5O2S2+ MolecularWeight: 394.53476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O2S2/c1-2-8-20-14-18-22(17(20)25)15-19-9-11-21(12-10-19)26(23,24)13-16-6-4-3-5-7-16/h2-7,14H,1,8-13,15H2/p+1