3,3-dimethyl-1-phthalazin-1-ylsulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-phthalazin-1-ylsulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-phthalazin-1-ylsulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-(1-phthalazinylthio)-2-butanone IUPAC Name: 3,3-dimethyl-1-phthalazin-1-ylsulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-(phthalazin-1-ylthio)butan-2-one Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=CC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=CC2=CC=CC=C21

InChI

InChI=1S/C14H16N2OS/c1-14(2,3)12(17)9-18-13-11-7-5-4-6-10(11)8-15-16-13/h4-8H,9H2,1-3H3