1-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C18H18N4O3S/c1-12-9-16(17(23)11-26-18-19-7-8-20(18)3)13(2)21(12)14-5-4-6-15(10-14)22(24)25/h4-10H,11H2,1-3H3