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

Systemtic Name: 2-[5-chloranyl-4-methyl-2-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]thio]acetic acid IUPAC Name: 2-[2-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]thio]acetic acid Formula: C17H16ClN5O4S2 MolecularWeight: 453.92304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5O4S2/c1-10-7-14(13(8-12(10)18)28-9-15(24)25)29(26,27)23-17-20-16(21-22-17)19-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,24,25)(H3,19,20,21,22,23)