2-[4-[2-azanyl-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3,5-dicyano-pyridin-4-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-azanyl-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3,5-dicyano-pyridin-4-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-amino-6-(2-amino-2-oxo-ethyl)sulfanyl-3,5-dicyano-4-pyridyl]phenoxy]acetic acid CAS Name: 2-[4-[2-amino-6-[(2-amino-2-oxoethyl)thio]-3,5-dicyano-4-pyridinyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-amino-6-(2-amino-2-oxoethyl)sulfanyl-3,5-dicyanopyridin-4-yl]phenoxy]acetic acid Traditional Name: 2-[4-[2-amino-6-[(2-amino-2-keto-ethyl)thio]-3,5-dicyano-4-pyridyl]phenoxy]acetic acid Formula: C17H13N5O4S MolecularWeight: 383.38122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC(=O)N)N)C#N)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC(=O)N)N)C#N)OCC(=O)O

InChI

InChI=1S/C17H13N5O4S/c18-5-11-15(9-1-3-10(4-2-9)26-7-14(24)25)12(6-19)17(22-16(11)21)27-8-13(20)23/h1-4H,7-8H2,(H2,20,23)(H2,21,22)(H,24,25)