4-ethyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H24N5O2S2+ MolecularWeight: 418.55616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H23N5O2S2/c1-2-22-14-20-24(19(22)27)15-21-9-11-23(12-10-21)28(25,26)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13-14H,2,9-12,15H2,1H3/p+1