1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-nitropyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-nitropyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-nitro-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-nitro-2-pyridinyl)thio]ethanone IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-nitropyridin-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-nitro-2-pyridyl)thio]ethanone Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-11-8-14(12(2)18(11)6-7-23-3)15(20)10-24-16-5-4-13(9-17-16)19(21)22/h4-5,8-9H,6-7,10H2,1-3H3