2-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)sulfanylethanoic acid

Systemtic Name: 2-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)sulfanylethanoic acid Openeye Name: 2-(3-cyano-4-imino-2-oxo-pentyl)sulfanylacetic acid CAS Name: 2-[(3-cyano-4-imino-2-oxopentyl)thio]acetic acid IUPAC Name: 2-(3-cyano-4-imino-2-oxopentyl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-4-imino-2-keto-pentyl)thio]acetic acid Formula: C8H10N2O3S MolecularWeight: 214.2416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSCC(=O)O

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSCC(=O)O

InChI

InChI=1S/C8H10N2O3S/c1-5(10)6(2-9)7(11)3-14-4-8(12)13/h6,10H,3-4H2,1H3,(H,12,13)