1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-keto-ethyl]-5-nitro-2-pyridone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)SC)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-13-9-18(14(2)22(13)15-5-4-6-17(10-15)28-3)19(24)12-21-11-16(23(26)27)7-8-20(21)25/h4-11H,12H2,1-3H3