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

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoic acid Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetic acid IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetic acid Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)O)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)O)C#N

InChI

InChI=1S/C15H11N3O2S/c1-9-6-13(21-8-14(19)20)18-12-5-3-2-4-11(12)17-15(18)10(9)7-16/h2-6H,8H2,1H3,(H,19,20)