2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)C[C@H]4CCCO4)C

InChI

InChI=1S/C21H23N5O2S/c1-13-14(2)26(11-15-6-5-9-28-15)20(16(13)10-22)25-19(27)12-29-21-23-17-7-3-4-8-18(17)24-21/h3-4,7-8,15H,5-6,9,11-12H2,1-2H3,(H,23,24)(H,25,27)/t15-/m1/s1