1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-one

Systemtic Name: 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-one Openeye Name: 1-imidazol-1-yl-3,3-dimethyl-4-sulfanyl-butan-2-one CAS Name: 1-(1-imidazolyl)-4-mercapto-3,3-dimethyl-2-butanone IUPAC Name: 1-imidazol-1-yl-3,3-dimethyl-4-sulfanylbutan-2-one Traditional Name: 1-imidazol-1-yl-4-mercapto-3,3-dimethyl-butan-2-one Formula: C9H14N2OS MolecularWeight: 198.28526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(=O)CN1C=CN=C1

Isomeric SMILES

CC(C)(CS)C(=O)CN1C=CN=C1

InChI

InChI=1S/C9H14N2OS/c1-9(2,6-13)8(12)5-11-4-3-10-7-11/h3-4,7,13H,5-6H2,1-2H3