2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C13H19ClN5O2S3+ MolecularWeight: 408.97026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C13H18ClN5O2S3/c1-2-17-9-15-19(13(17)22)10-16-5-7-18(8-6-16)24(20,21)12-4-3-11(14)23-12/h3-4,9H,2,5-8,10H2,1H3/p+1