4-(1-methylimidazol-2-yl)sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-(1-methylimidazol-2-yl)sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[(1-methyl-2-imidazolyl)thio]-1-phenyl-1-butanone IUPAC Name: 4-(1-methylimidazol-2-yl)sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[(1-methylimidazol-2-yl)thio]-1-phenyl-butan-1-one Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C=CN=C1SCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2OS/c1-16-10-9-15-14(16)18-11-5-8-13(17)12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3