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

Systemtic Name: (phenylmethyl) 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-3-10-19-14(4-2)17-18-16(19)22-12-15(20)21-11-13-8-6-5-7-9-13/h3,5-9H,1,4,10-12H2,2H3