1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-propyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1-propylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-propylimidazol-2-yl)thio]ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H23N3O3S/c1-4-8-23-9-7-22-21(23)28-12-18(25)17-10-14(2)24(15(17)3)16-5-6-19-20(11-16)27-13-26-19/h5-7,9-11H,4,8,12-13H2,1-3H3