dimethyl 5-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C21H26N4O5S/c1-25-18(13-7-5-4-6-8-13)23-24-21(25)31-12-17(26)22-16-10-14(19(27)29-2)9-15(11-16)20(28)30-3/h9-11,13H,4-8,12H2,1-3H3,(H,22,26)