3-ethyl-1-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[2-oxo-2-(4-propylphenyl)ethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[2-keto-2-(4-propylphenyl)ethyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)CC

InChI

InChI=1S/C25H23N3OS/c1-3-7-17-10-12-19(13-11-17)23(29)16-30-24-14-18(4-2)20(15-26)25-27-21-8-5-6-9-22(21)28(24)25/h5-6,8-14H,3-4,7,16H2,1-2H3