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

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

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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(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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