6-[(3S)-1-ethylpyrrolidin-3-yl]oxy-2-(2-methylbutan-2-ylsulfanyl)-3H-benzimidazole-5-carbonitrile

Systemtic Name: 6-[(3S)-1-ethylpyrrolidin-3-yl]oxy-2-(2-methylbutan-2-ylsulfanyl)-3H-benzimidazole-5-carbonitrile Openeye Name: 2-(1,1-dimethylpropylsulfanyl)-6-[(3S)-1-ethylpyrrolidin-3-yl]oxy-3H-benzimidazole-5-carbonitrile CAS Name: 6-[[(3S)-1-ethyl-3-pyrrolidinyl]oxy]-2-(2-methylbutan-2-ylthio)-3H-benzimidazole-5-carbonitrile IUPAC Name: 6-[(3S)-1-ethylpyrrolidin-3-yl]oxy-2-(2-methylbutan-2-ylsulfanyl)-3H-benzimidazole-5-carbonitrile Traditional Name: 2-(tert-amylthio)-6-[(3S)-1-ethylpyrrolidin-3-yl]oxy-3H-benzimidazole-5-carbonitrile Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=C(N1)C=C(C(=C2)OC3CCN(C3)CC)C#N

Isomeric SMILES

CCC(C)(C)SC1=NC2=C(N1)C=C(C(=C2)O[C@H]3CCN(C3)CC)C#N

InChI

InChI=1S/C19H26N4OS/c1-5-19(3,4)25-18-21-15-9-13(11-20)17(10-16(15)22-18)24-14-7-8-23(6-2)12-14/h9-10,14H,5-8,12H2,1-4H3,(H,21,22)/t14-/m0/s1