2-[3-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[3-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate Openeye Name: 4-nitro-2-[3-[(5E)-4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]propanoylamino]phenolate CAS Name: 2-[[3-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]-4-nitrophenolate IUPAC Name: 2-[3-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate Traditional Name: 2-[3-[(5E)-4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]propanoylamino]-4-nitro-phenolate Formula: C20H16N3O5S2- MolecularWeight: 442.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H17N3O5S2/c1-12-2-4-13(5-3-12)10-17-19(26)22(20(29)30-17)9-8-18(25)21-15-11-14(23(27)28)6-7-16(15)24/h2-7,10-11,24H,8-9H2,1H3,(H,21,25)/p-1/b17-10+