2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoic acid Openeye Name: 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid CAS Name: 2-[(4-cyano-3-propyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetic acid IUPAC Name: 2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid Traditional Name: 2-[(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)O)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)O)C#N

InChI

InChI=1S/C17H15N3O2S/c1-2-5-11-8-15(23-10-16(21)22)20-14-7-4-3-6-13(14)19-17(20)12(11)9-18/h3-4,6-8H,2,5,10H2,1H3,(H,21,22)