2-[4-(2-azanyl-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(2-azanyl-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(2-amino-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)phenoxy]acetic acid CAS Name: 2-[4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)phenoxy]acetic acid Traditional Name: 2-[4-(2-amino-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)phenoxy]acetic acid Formula: C15H10N4O3S MolecularWeight: 326.3299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O3S/c16-5-10-13(11(6-17)15(23)19-14(10)18)8-1-3-9(4-2-8)22-7-12(20)21/h1-4H,7H2,(H,20,21)(H3,18,19,23)