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

Systemtic Name: methyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-4-methyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]sulfanylacetate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetate Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]thio]acetic acid methyl ester Formula: C12H14ClN5O4S2 MolecularWeight: 391.85366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5O4S2/c1-6-3-9(8(4-7(6)13)23-5-10(19)22-2)24(20,21)18-12-15-11(14)16-17-12/h3-4H,5H2,1-2H3,(H4,14,15,16,17,18)