1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-12-8-15(13(2)20(12)6-5-14-4-3-7-25-14)16(22)9-19-10-17(18-11-19)21(23)24/h3-4,7-8,10-11H,5-6,9H2,1-2H3