1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C24H20N4OS/c1-16-12-23(28-21-9-5-4-8-20(21)26-24(28)19(16)13-25)30-15-22(29)27-11-10-17-6-2-3-7-18(17)14-27/h2-9,12H,10-11,14-15H2,1H3