2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H26N5O2S2+ MolecularWeight: 420.57204

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C19H25N5O2S2/c1-2-8-22-14-20-24(19(22)27)15-21-9-11-23(12-10-21)28(25,26)18-7-6-16-4-3-5-17(16)13-18/h2,6-7,13-14H,1,3-5,8-12,15H2/p+1