2-azanyl-4-[2-(1,2-dihydropyridin-2-yl)ethylsulfanyl]butanal

Systemtic Name: 2-azanyl-4-[2-(1,2-dihydropyridin-2-yl)ethylsulfanyl]butanal Openeye Name: 2-amino-4-[2-(1,2-dihydropyridin-2-yl)ethylsulfanyl]butanal CAS Name: 2-amino-4-[2-(1,2-dihydropyridin-2-yl)ethylthio]butanal IUPAC Name: 2-amino-4-[2-(1,2-dihydropyridin-2-yl)ethylsulfanyl]butanal Traditional Name: 2-amino-4-[2-(1,2-dihydropyridin-2-yl)ethylthio]butyraldehyde Formula: C11H18N2OS MolecularWeight: 226.33842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(NC=C1)CCSCCC(C=O)N

Isomeric SMILES

C1=CC(NC=C1)CCSCCC(C=O)N

InChI

InChI=1S/C11H18N2OS/c12-10(9-14)4-7-15-8-5-11-3-1-2-6-13-11/h1-3,6,9-11,13H,4-5,7-8,12H2