tert-butyl N-[4-[pyridin-4-yl(sulfanyl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[pyridin-4-yl(sulfanyl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]carbamate Openeye Name: tert-butyl N-[4-[4-pyridyl(sulfanyl)methyl]-4,5-dihydrothiazol-2-yl]carbamate CAS Name: N-[4-[mercapto(pyridin-4-yl)methyl]-4,5-dihydrothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[pyridin-4-yl(sulfanyl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]carbamate Traditional Name: N-[4-[mercapto(4-pyridyl)methyl]-2-thiazolin-2-yl]carbamic acid tert-butyl ester Formula: C14H19N3O2S2 MolecularWeight: 325.44956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(CS1)C(C2=CC=NC=C2)S

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(CS1)C(C2=CC=NC=C2)S

InChI

InChI=1S/C14H19N3O2S2/c1-14(2,3)19-13(18)17-12-16-10(8-21-12)11(20)9-4-6-15-7-5-9/h4-7,10-11,20H,8H2,1-3H3,(H,16,17,18)