2-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-phenyl-1,2,4-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-phenyl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-phenyl-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[(2-ethoxy-2-oxoethyl)thio]-5-phenyl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(2-ethoxy-2-oxoethyl)sulfanyl-5-phenyl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[(2-ethoxy-2-keto-ethyl)thio]-5-phenyl-1,2,4-triazol-4-yl]acetic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O4S/c1-2-21-12(20)9-22-14-16-15-13(17(14)8-11(18)19)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,18,19)