ethyl 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)OCC

InChI

InChI=1S/C14H17N3O3S/c1-3-19-11-7-5-10(6-8-11)13-15-14(17-16-13)21-9-12(18)20-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16,17)