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

Systemtic Name: dimethyl 2-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O5S/c1-34-24(32)18-13-14-20(25(33)35-2)21(15-18)27-22(31)16-36-26-29-28-23(17-9-5-3-6-10-17)30(26)19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3,(H,27,31)