2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-methyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCC(=O)N

InChI

InChI=1S/C13H16N4O3S2/c1-9-3-5-10(6-4-9)22(19,20)8-12-15-16-13(17(12)2)21-7-11(14)18/h3-6H,7-8H2,1-2H3,(H2,14,18)