methyl 2-[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)OC)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5O4S/c1-3-29-16-8-6-15(7-9-16)25-19(14-5-4-10-21-11-14)23-24-20(25)30-13-17(26)22-12-18(27)28-2/h4-11H,3,12-13H2,1-2H3,(H,22,26)