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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C13H17N5O2S/c1-13(2,3)20-10(19)8-21-12-17-16-11(18(12)14)9-5-4-6-15-7-9/h4-7H,8,14H2,1-3H3