ethyl 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(m-tolylsulfonylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(m-tolylsulfonylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC(=C2)C

InChI

InChI=1S/C13H16N4O4S2/c1-3-21-11(18)8-22-13-14-12(15-16-13)17-23(19,20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17)