S-tert-butyl 5-imidazol-1-yl-5-oxidanylidene-pentanethioate

Systemtic Name: S-tert-butyl 5-imidazol-1-yl-5-oxidanylidene-pentanethioate Openeye Name: S-tert-butyl 5-imidazol-1-yl-5-oxo-pentanethioate CAS Name: 5-(1-imidazolyl)-5-oxopentanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 5-imidazol-1-yl-5-oxopentanethioate Traditional Name: 5-imidazol-1-yl-5-keto-pentanethioic acid S-tert-butyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CCCC(=O)N1C=CN=C1

Isomeric SMILES

CC(C)(C)SC(=O)CCCC(=O)N1C=CN=C1

InChI

InChI=1S/C12H18N2O2S/c1-12(2,3)17-11(16)6-4-5-10(15)14-8-7-13-9-14/h7-9H,4-6H2,1-3H3