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

Systemtic Name: ethyl 3-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-2-26-18(25)14-9-6-10-15(11-14)20-16(24)12-27-19-21-17(22-23-19)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,24)(H,21,22,23)