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

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

CC(=C=O)N1C(C2=CC=CC=C2C=N1)CSC

Isomeric SMILES

CC(=C=O)N1C(C2=CC=CC=C2C=N1)CSC

InChI

InChI=1S/C13H14N2OS/c1-10(8-16)15-13(9-17-2)12-6-4-3-5-11(12)7-14-15/h3-7,13H,9H2,1-2H3