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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(3,3-dimethyl-2-oxobutyl)thio]-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[(2-keto-3,3-dimethyl-butyl)thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C(C)(C)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)C(C)(C)C)C#N

InChI

InChI=1S/C20H21N3OS/c1-5-13-10-18(25-12-17(24)20(2,3)4)23-16-9-7-6-8-15(16)22-19(23)14(13)11-21/h6-10H,5,12H2,1-4H3