5-propyl-4-[(4-sulfamoylphenyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propyl-4-[(4-sulfamoylphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-[(4-sulfamoylphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-[(4-sulfamoylphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-[(4-sulfamoylphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-(4-sulfamoylbenzyl)-1,2,4-triazole-3-thiolate Formula: C12H15N4O2S2- MolecularWeight: 311.4031

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=C(C=C2)S(=O)(=O)N)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=C(C=C2)S(=O)(=O)N)[S-]

InChI

InChI=1S/C12H16N4O2S2/c1-2-3-11-14-15-12(19)16(11)8-9-4-6-10(7-5-9)20(13,17)18/h4-7H,2-3,8H2,1H3,(H,15,19)(H2,13,17,18)/p-1