5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)pentanoate

Systemtic Name: 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)pentanoate Openeye Name: 5-(2-thioxo-1,3-dihydroimidazol-4-yl)pentanoate CAS Name: 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)pentanoate IUPAC Name: 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)pentanoate Traditional Name: 5-(2-thioxo-4-imidazolin-4-yl)valerate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=S)N1)CCCCC(=O)[O-]

Isomeric SMILES

C1=C(NC(=S)N1)CCCCC(=O)[O-]

InChI

InChI=1S/C8H12N2O2S/c11-7(12)4-2-1-3-6-5-9-8(13)10-6/h5H,1-4H2,(H,11,12)(H2,9,10,13)/p-1