2-[4,6-bis[(3-methoxy-3-oxidanylidene-propyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyano-propanoate

Systemtic Name: 2-[4,6-bis[(3-methoxy-3-oxidanylidene-propyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyano-propanoate Openeye Name: 2-[4,6-bis[(3-methoxy-3-oxo-propyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyano-propanoate CAS Name: 2-[4,6-bis[(3-methoxy-3-oxopropyl)thio]-1,3,5-triazin-2-yl]-2-cyanopropanoate IUPAC Name: 2-[4,6-bis[(3-methoxy-3-oxopropyl)sulfanyl]-1,3,5-triazin-2-yl]-2-cyanopropanoate Traditional Name: 2-[4,6-bis[(3-keto-3-methoxy-propyl)thio]-s-triazin-2-yl]-2-cyano-propionate Formula: C15H17N4O6S2- MolecularWeight: 413.44868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=NC(=NC(=N1)SCCC(=O)OC)SCCC(=O)OC)C(=O)[O-]

Isomeric SMILES

CC(C#N)(C1=NC(=NC(=N1)SCCC(=O)OC)SCCC(=O)OC)C(=O)[O-]

InChI

InChI=1S/C15H18N4O6S2/c1-15(8-16,12(22)23)11-17-13(26-6-4-9(20)24-2)19-14(18-11)27-7-5-10(21)25-3/h4-7H2,1-3H3,(H,22,23)/p-1