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

Systemtic Name: 4-pentyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-pentyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-pentyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-pentyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H26N5O2S3+ MolecularWeight: 416.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H25N5O2S3/c1-2-3-4-7-19-13-17-21(16(19)24)14-18-8-10-20(11-9-18)26(22,23)15-6-5-12-25-15/h5-6,12-13H,2-4,7-11,14H2,1H3/p+1