(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H15FN4O3S MolecularWeight: 374.389403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NC=CN1C2=CC(=CC=C2)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NC=CN1C2=CC(=CC=C2)F

InChI

InChI=1S/C17H15FN4O3S/c1-11(20)14(8-19)15(23)9-25-16(24)10-26-17-21-5-6-22(17)13-4-2-3-12(18)7-13/h2-7,14,20H,9-10H2,1H3