2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(2-isopropylpyrazol-3-yl)acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC=NN4C(C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC=NN4C(C)C)C#N

InChI

InChI=1S/C21H20N6OS/c1-13(2)27-18(8-9-23-27)25-19(28)12-29-20-10-14(3)15(11-22)21-24-16-6-4-5-7-17(16)26(20)21/h4-10,13H,12H2,1-3H3,(H,25,28)