3-ethyl-3-methyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one

Systemtic Name: 3-ethyl-3-methyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one Openeye Name: 3-ethyl-3-methyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrothiophen-2-one CAS Name: 3-ethyl-3-methyl-4-[(3-methyl-4-imidazolyl)methyl]-2-thiolanone IUPAC Name: 3-ethyl-3-methyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one Traditional Name: 3-ethyl-3-methyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrothiophen-2-one Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CSC1=O)CC2=CN=CN2C)C

Isomeric SMILES

CCC1(C(CSC1=O)CC2=CN=CN2C)C

InChI

InChI=1S/C12H18N2OS/c1-4-12(2)9(7-16-11(12)15)5-10-6-13-8-14(10)3/h6,8-9H,4-5,7H2,1-3H3