1-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H20BrN3O2S MolecularWeight: 542.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C5C(=CC(=C4)Br)COC(O5)C6=CC=CC=C6)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=C5C(=CC(=C4)Br)COC(O5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C28H20BrN3O2S/c1-17-11-25(32-24-10-6-5-9-23(24)31-27(32)22(17)14-30)35-16-20-13-21(29)12-19-15-33-28(34-26(19)20)18-7-3-2-4-8-18/h2-13,28H,15-16H2,1H3