2-(4-azanyl-3-cyano-pyrido[3,2-b]quinoxalin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-azanyl-3-cyano-pyrido[3,2-b]quinoxalin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-amino-3-cyano-pyrido[3,2-b]quinoxalin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-amino-3-cyano-2-pyrido[3,2-b]quinoxalinyl)thio]acetic acid IUPAC Name: 2-(4-amino-3-cyanopyrido[3,2-b]quinoxalin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-amino-3-cyano-pyrido[3,2-b]quinoxalin-2-yl)thio]acetic acid Formula: C14H9N5O2S MolecularWeight: 311.31856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(C(=NC3=N2)SCC(=O)O)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(C(=NC3=N2)SCC(=O)O)C#N)N

InChI

InChI=1S/C14H9N5O2S/c15-5-7-11(16)12-13(19-14(7)22-6-10(20)21)18-9-4-2-1-3-8(9)17-12/h1-4H,6H2,(H,20,21)(H2,16,18,19)