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

Systemtic Name: 4-[(Z)-[3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(3-isobutyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(3-isobutyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate Formula: C14H13N2O4S2- MolecularWeight: 337.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])SC1=S

Isomeric SMILES

CC(C)CN1C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C14H14N2O4S2/c1-8(2)7-15-13(18)12(22-14(15)21)6-9-3-4-11(17)10(5-9)16(19)20/h3-6,8,17H,7H2,1-2H3/p-1/b12-6-