3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C16H19N4O3S- MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)[O-])N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H20N4O3S/c1-2-20-15(19-6-8-23-9-7-19)17-18-16(20)24-11-12-4-3-5-13(10-12)14(21)22/h3-5,10H,2,6-9,11H2,1H3,(H,21,22)/p-1