2-[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-4-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-4-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]thio]acetic acid IUPAC Name: 2-[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]thio]acetic acid Formula: C15H19ClN4O4S2 MolecularWeight: 418.91876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SCC(=O)O

Isomeric SMILES

CCCCN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SCC(=O)O

InChI

InChI=1S/C15H19ClN4O4S2/c1-3-4-5-20-9-17-18-15(20)19-26(23,24)13-6-10(2)11(16)7-12(13)25-8-14(21)22/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)(H,21,22)