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

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-iodophenyl)ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-iodophenyl)acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-iodophenyl)acetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(4-iodophenyl)acetamide Formula: C21H15IN4OS MolecularWeight: 498.33947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC=C(C=C4)I)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4=CC=C(C=C4)I)C#N

InChI

InChI=1S/C21H15IN4OS/c1-13-10-20(28-12-19(27)24-15-8-6-14(22)7-9-15)26-18-5-3-2-4-17(18)25-21(26)16(13)11-23/h2-10H,12H2,1H3,(H,24,27)