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

Systemtic Name: 3-ethyl-1-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[(1S)-2-oxocyclohexyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[(1S)-2-oxocyclohexyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[(1S)-2-oxocyclohexyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[(1S)-2-ketocyclohexyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC4CCCCC4=O)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H]4CCCCC4=O)C#N

InChI

InChI=1S/C20H19N3OS/c1-2-13-11-19(25-18-10-6-5-9-17(18)24)23-16-8-4-3-7-15(16)22-20(23)14(13)12-21/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3/t18-/m0/s1