3-ethyl-1-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)N4CCCC4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)N4CCCC4)C#N

InChI

InChI=1S/C21H22N4OS/c1-3-15-12-19(27-14(2)21(26)24-10-6-7-11-24)25-18-9-5-4-8-17(18)23-20(25)16(15)13-22/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3/t14-/m1/s1