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

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one Openeye Name: 4-[(3-methylimidazol-4-yl)methyl]tetrahydrothiophen-2-one CAS Name: 4-[(3-methyl-4-imidazolyl)methyl]-2-thiolanone IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one Traditional Name: 4-[(3-methylimidazol-4-yl)methyl]tetrahydrothiophen-2-one Formula: C9H12N2OS MolecularWeight: 196.26938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC2CC(=O)SC2

Isomeric SMILES

CN1C=NC=C1CC2CC(=O)SC2

InChI

InChI=1S/C9H12N2OS/c1-11-6-10-4-8(11)2-7-3-9(12)13-5-7/h4,6-7H,2-3,5H2,1H3