3-[2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C21H24N4O2S/c1-15-13-17(16(2)24(15)11-12-27-3)20(26)14-28-21-23-18-7-4-5-8-19(18)25(21)10-6-9-22/h4-5,7-8,13H,6,10-12,14H2,1-3H3