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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-p-phenetylsulfonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C17H25N5O3S2 MolecularWeight: 411.5421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C17H25N5O3S2/c1-3-20-13-18-22(17(20)26)14-19-9-11-21(12-10-19)27(23,24)16-7-5-15(6-8-16)25-4-2/h5-8,13H,3-4,9-12,14H2,1-2H3