3-[1-(methylsulfanylmethyl)-1H-phthalazin-2-yl]prop-1-en-1-one

Systemtic Name: 3-[1-(methylsulfanylmethyl)-1H-phthalazin-2-yl]prop-1-en-1-one Openeye Name: 3-[1-(methylsulfanylmethyl)-1H-phthalazin-2-yl]prop-1-en-1-one CAS Name: 3-[1-[(methylthio)methyl]-1H-phthalazin-2-yl]-1-propen-1-one IUPAC Name: 3-[1-(methylsulfanylmethyl)-1H-phthalazin-2-yl]prop-1-en-1-one Traditional Name: 3-[1-[(methylthio)methyl]-1H-phthalazin-2-yl]prop-1-en-1-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C2=CC=CC=C2C=NN1CC=C=O

Isomeric SMILES

CSCC1C2=CC=CC=C2C=NN1CC=C=O

InChI

InChI=1S/C13H14N2OS/c1-17-10-13-12-6-3-2-5-11(12)9-14-15(13)7-4-8-16/h2-6,9,13H,7,10H2,1H3