S-octyl N-pyrimidin-2-ylcarbamothioate

Systemtic Name: S-octyl N-pyrimidin-2-ylcarbamothioate Openeye Name: S-octyl N-pyrimidin-2-ylcarbamothioate CAS Name: N-(2-pyrimidinyl)carbamothioic acid S-octyl ester IUPAC Name: S-octyl N-pyrimidin-2-ylcarbamothioate Traditional Name: N-(2-pyrimidyl)thiocarbamic acid S-octyl ester Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)NC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCSC(=O)NC1=NC=CC=N1

InChI

InChI=1S/C13H21N3OS/c1-2-3-4-5-6-7-11-18-13(17)16-12-14-9-8-10-15-12/h8-10H,2-7,11H2,1H3,(H,14,15,16,17)