ethyl 2-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: ethyl 2-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)acetate CAS Name: 2-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)acetate Traditional Name: 2-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-2-18-12(17)8-11-14-13(16-15-11)19-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,16)