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

Systemtic Name: 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-4-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]thio]acetic acid IUPAC Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]thio]acetic acid Formula: C11H12ClN5O4S2 MolecularWeight: 377.82708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)N

InChI

InChI=1S/C11H12ClN5O4S2/c1-5-2-8(7(3-6(5)12)22-4-9(18)19)23(20,21)17-11-14-10(13)15-16-11/h2-3H,4H2,1H3,(H,18,19)(H4,13,14,15,16,17)