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

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-5-oxidanylidene-1H-1,2,4-triazol-4-yl]ethyl ethanoate Openeye Name: 2-[5-oxo-3-(p-tolylmethyl)-1H-1,2,4-triazol-4-yl]ethyl acetate CAS Name: acetic acid 2-[3-[(4-methylphenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]ethyl ester IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]ethyl acetate Traditional Name: acetic acid 2-[5-keto-3-(4-methylbenzyl)-1H-1,2,4-triazol-4-yl]ethyl ester Formula: C14H17N3O3 MolecularWeight: 275.30308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NNC(=O)N2CCOC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NNC(=O)N2CCOC(=O)C

InChI

InChI=1S/C14H17N3O3/c1-10-3-5-12(6-4-10)9-13-15-16-14(19)17(13)7-8-20-11(2)18/h3-6H,7-9H2,1-2H3,(H,16,19)