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

Systemtic Name: ethyl 2-[(5-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-butyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OCC

Isomeric SMILES

CCCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OCC

InChI

InChI=1S/C16H21N3O2S/c1-3-5-11-14-17-18-16(22-12-15(20)21-4-2)19(14)13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3