4-butyl-1-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-olate

Systemtic Name: 4-butyl-1-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-olate Openeye Name: 4-butyl-1-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-olate CAS Name: 4-butyl-1-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-olate IUPAC Name: 4-butyl-1-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-olate Traditional Name: 4-butyl-1-[[4-(4-chlorophenyl)sulfonylpiperazino]methyl]-5-thioxo-1,2,4-triazol-3-olate Formula: C17H23ClN5O3S2- MolecularWeight: 444.97922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CCCCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C17H24ClN5O3S2/c1-2-3-8-22-16(24)19-23(17(22)27)13-20-9-11-21(12-10-20)28(25,26)15-6-4-14(18)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,19,24)/p-1