dimethyl 2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H21N5O5S MolecularWeight: 467.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C22H21N5O5S/c1-4-11-27-19(14-7-9-23-10-8-14)25-26-22(27)33-13-18(28)24-17-12-15(20(29)31-2)5-6-16(17)21(30)32-3/h4-10,12H,1,11,13H2,2-3H3,(H,24,28)