ethyl 2-[2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C23H21N5O4S/c1-2-31-22(30)18-9-3-4-10-19(18)25-20(29)15-33-23-27-26-21(16-7-5-11-24-13-16)28(23)14-17-8-6-12-32-17/h3-13H,2,14-15H2,1H3,(H,25,29)