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

Systemtic Name: ethyl 2-[(5-butyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-allyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-butyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-butyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-butyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C13H21N3O2S MolecularWeight: 283.38974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC=C)SCC(=O)OCC

Isomeric SMILES

CCCCC1=NN=C(N1CC=C)SCC(=O)OCC

InChI

InChI=1S/C13H21N3O2S/c1-4-7-8-11-14-15-13(16(11)9-5-2)19-10-12(17)18-6-3/h5H,2,4,6-10H2,1,3H3