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

Systemtic Name: ethyl 4-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5O3S/c1-2-26-17(25)13-3-5-14(6-4-13)20-15(24)11-27-18-21-16(22-23-18)12-7-9-19-10-8-12/h3-10H,2,11H2,1H3,(H,20,24)(H,21,22,23)