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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C25H23N3OS/c1-3-4-7-18-10-12-19(13-11-18)23(29)16-30-24-14-17(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