1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(2,4-dichlorophenyl)methylthio]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(2,4-dichlorobenzyl)thio]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H17Cl2N3S MolecularWeight: 426.36148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C(C=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C(C=C(C=C4)Cl)Cl)C#N

InChI

InChI=1S/C22H17Cl2N3S/c1-2-5-14-10-21(28-13-15-8-9-16(23)11-18(15)24)27-20-7-4-3-6-19(20)26-22(27)17(14)12-25/h3-4,6-11H,2,5,13H2,1H3