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

Systemtic Name: 2-[[4-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-[(p-tolylsulfonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-methyl-5-[(tosylamino)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H17N5O3S2 MolecularWeight: 355.43578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC(=O)N

InChI

InChI=1S/C13H17N5O3S2/c1-9-3-5-10(6-4-9)23(20,21)15-7-12-16-17-13(18(12)2)22-8-11(14)19/h3-6,15H,7-8H2,1-2H3,(H2,14,19)