2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]ethanone Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-12-8-16(13(2)24(12)10-15-4-3-7-26-15)19(25)11-27-20-22-17-6-5-14(21)9-18(17)23-20/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,22,23)