(phenylmethyl) 2-[[5-(2-cycloheptylidenehydrazinyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(2-cycloheptylidenehydrazinyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(2-cycloheptylidenehydrazino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-cycloheptylidenehydrazinyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(2-cycloheptylidenehydrazinyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(N'-cycloheptylidenehydrazino)-1H-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NNC2=NC(=NN2)SCC(=O)OCC3=CC=CC=C3)CC1

Isomeric SMILES

C1CCCC(=NNC2=NC(=NN2)SCC(=O)OCC3=CC=CC=C3)CC1

InChI

InChI=1S/C18H23N5O2S/c24-16(25-12-14-8-4-3-5-9-14)13-26-18-19-17(22-23-18)21-20-15-10-6-1-2-7-11-15/h3-5,8-9H,1-2,6-7,10-13H2,(H2,19,21,22,23)