2-methylpropyl 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-methylpropyl 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isobutyl 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isobutyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2

Isomeric SMILES

CC(C)COC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2

InChI

InChI=1S/C13H17N5O2S/c1-9(2)7-20-11(19)8-21-13-17-16-12(18(13)14)10-3-5-15-6-4-10/h3-6,9H,7-8,14H2,1-2H3