5-[2-(dimethylamino)pyrrolidin-1-yl]-3-methyl-2-(2-phenylsulfanylethyl)-1H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 5-[2-(dimethylamino)pyrrolidin-1-yl]-3-methyl-2-(2-phenylsulfanylethyl)-1H-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 5-[2-(dimethylamino)pyrrolidin-1-yl]-3-methyl-2-(2-phenylsulfanylethyl)-1H-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 5-[2-(dimethylamino)-1-pyrrolidinyl]-3-methyl-2-[2-(phenylthio)ethyl]-1H-pyrido[1,2-a]benzimidazole-4-carbonitrile IUPAC Name: 5-[2-(dimethylamino)pyrrolidin-1-yl]-3-methyl-2-(2-phenylsulfanylethyl)-1H-pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 5-[2-(dimethylamino)pyrrolidino]-3-methyl-2-[2-(phenylthio)ethyl]-1H-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H31N5S MolecularWeight: 457.63354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN2C3=CC=CC=C3N(C2=C1C#N)N4CCCC4N(C)C)CCSC5=CC=CC=C5

Isomeric SMILES

CC1=C(CN2C3=CC=CC=C3N(C2=C1C#N)N4CCCC4N(C)C)CCSC5=CC=CC=C5

InChI

InChI=1S/C27H31N5S/c1-20-21(15-17-33-22-10-5-4-6-11-22)19-30-24-12-7-8-13-25(24)32(27(30)23(20)18-28)31-16-9-14-26(31)29(2)3/h4-8,10-13,26H,9,14-17,19H2,1-3H3