4-(5-methylpyrimidin-2-yl)sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-(5-methylpyrimidin-2-yl)sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-(5-methylpyrimidin-2-yl)sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[(5-methyl-2-pyrimidinyl)thio]-1-phenyl-1-butanone IUPAC Name: 4-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[(5-methylpyrimidin-2-yl)thio]-1-phenyl-butan-1-one Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)SCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CN=C(N=C1)SCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2OS/c1-12-10-16-15(17-11-12)19-9-5-8-14(18)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3