tert-butyl N-[4-(3-azanyl-3-sulfanylidene-propyl)pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-(3-azanyl-3-sulfanylidene-propyl)pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-(3-amino-3-thioxo-propyl)-2-pyridyl]carbamate CAS Name: N-[4-(3-amino-3-sulfanylidenepropyl)-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-amino-3-sulfanylidenepropyl)pyridin-2-yl]carbamate Traditional Name: N-[4-(3-amino-3-thioxo-propyl)-2-pyridyl]carbamic acid tert-butyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CCC(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CCC(=S)N

InChI

InChI=1S/C13H19N3O2S/c1-13(2,3)18-12(17)16-11-8-9(6-7-15-11)4-5-10(14)19/h6-8H,4-5H2,1-3H3,(H2,14,19)(H,15,16,17)