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

Systemtic Name: ethyl 4-[2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(3-pyridyl)-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=NN=CN2C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CN=CC=C3

InChI

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