ethyl 5-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoxazole-3-carboxylate CAS Name: 5-[[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[[(5-keto-4-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoxazole-3-carboxylic acid ethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)CSC2=NNC(=O)N2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)CSC2=NNC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O4S/c1-2-22-13(20)12-8-11(23-18-12)9-24-15-17-16-14(21)19(15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,21)