4-nitro-2-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Openeye Name: 2-[(E)-(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[(E)-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenolate IUPAC Name: 2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenolate Traditional Name: 2-[(E)-(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-4-nitro-phenolate Formula: C17H11N2O4S2- MolecularWeight: 371.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])[O-])/SC2=S

InChI

InChI=1S/C17H12N2O4S2/c20-14-7-6-13(19(22)23)8-12(14)9-15-16(21)18(17(24)25-15)10-11-4-2-1-3-5-11/h1-9,20H,10H2/p-1/b15-9+