1-[2-(4-bromanylphenoxy)ethylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(4-bromophenoxy)ethylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(4-bromophenoxy)ethylthio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(4-bromophenoxy)ethylsulfanyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[2-(4-bromophenoxy)ethylthio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCOC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCCOC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C21H16BrN3OS/c1-14-12-20(27-11-10-26-16-8-6-15(22)7-9-16)25-19-5-3-2-4-18(19)24-21(25)17(14)13-23/h2-9,12H,10-11H2,1H3