2-tert-butylsulfanylpyridine; 3-tert-butylsulfanylpyridine; pyridin-4-yl ethanoate

Systemtic Name: 2-tert-butylsulfanylpyridine; 3-tert-butylsulfanylpyridine; pyridin-4-yl ethanoate Openeye Name: 2-tert-butylsulfanylpyridine; 3-tert-butylsulfanylpyridine; 4-pyridyl acetate CAS Name: acetic acid pyridin-4-yl ester; 2-(tert-butylthio)pyridine; 3-(tert-butylthio)pyridine IUPAC Name: 2-tert-butylsulfanylpyridine; 3-tert-butylsulfanylpyridine; pyridin-4-yl acetate Traditional Name: acetic acid 4-pyridyl ester; 2-(tert-butylthio)pyridine; 3-(tert-butylthio)pyridine Formula: C32H40N4O4S2 MolecularWeight: 608.8144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=NC=C1.CC(=O)OC1=CC=NC=C1.CC(C)(C)SC1=CN=CC=C1.CC(C)(C)SC1=CC=CC=N1

Isomeric SMILES

CC(=O)OC1=CC=NC=C1.CC(=O)OC1=CC=NC=C1.CC(C)(C)SC1=CN=CC=C1.CC(C)(C)SC1=CC=CC=N1

InChI

InChI=1S/2C9H13NS.2C7H7NO2/c1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)11-8-6-4-5-7-10-8;2*1-6(9)10-7-2-4-8-5-3-7/h2*4-7H,1-3H3;2*2-5H,1H3