5-[(4-butoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-butoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-butoxyphenyl)methyl]-4-(p-tolylsulfonylamino)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-butoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-butoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-butoxybenzyl)-4-(tosylamino)-1,2,4-triazole-3-thiolate Formula: C20H23N4O3S2- MolecularWeight: 431.55162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2NS(=O)(=O)C3=CC=C(C=C3)C)[S-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2NS(=O)(=O)C3=CC=C(C=C3)C)[S-]

InChI

InChI=1S/C20H24N4O3S2/c1-3-4-13-27-17-9-7-16(8-10-17)14-19-21-22-20(28)24(19)23-29(25,26)18-11-5-15(2)6-12-18/h5-12,23H,3-4,13-14H2,1-2H3,(H,22,28)/p-1