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

Systemtic Name: cyanomethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyanomethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid cyanomethyl ester Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC#N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC#N)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4O2S/c1-2-18-13(11-6-4-3-5-7-11)16-17-14(18)21-10-12(19)20-9-8-15/h3-7H,2,9-10H2,1H3