1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)CCCOC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)CCCOC)C

InChI

InChI=1S/C20H25N3O2S/c1-13-6-7-17-18(10-13)22-20(21-17)26-12-19(24)16-11-14(2)23(15(16)3)8-5-9-25-4/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,21,22)