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

Systemtic Name: cyanomethyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyanomethyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid cyanomethyl ester Formula: C14H13ClN4O2S MolecularWeight: 336.79662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O2S/c1-2-19-13(10-3-5-11(15)6-4-10)17-18-14(19)22-9-12(20)21-8-7-16/h3-6H,2,8-9H2,1H3