2-(1-isothiocyanatobutyl)-4H-pyridin-3-one

Systemtic Name: 2-(1-isothiocyanatobutyl)-4H-pyridin-3-one Openeye Name: 2-(1-isothiocyanatobutyl)-4H-pyridin-3-one CAS Name: 2-(1-isothiocyanatobutyl)-4H-pyridin-3-one IUPAC Name: 2-(1-isothiocyanatobutyl)-4H-pyridin-3-one Traditional Name: 2-(1-isothiocyanatobutyl)-4H-pyridin-3-one Formula: C10H12N2OS MolecularWeight: 208.28008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC=CCC1=O)N=C=S

Isomeric SMILES

CCCC(C1=NC=CCC1=O)N=C=S

InChI

InChI=1S/C10H12N2OS/c1-2-4-8(12-7-14)10-9(13)5-3-6-11-10/h3,6,8H,2,4-5H2,1H3