(3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-[(3-nitrophenyl)methylidene]-oxidanyl-azanium

Systemtic Name: (3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-[(3-nitrophenyl)methylidene]-oxidanyl-azanium Openeye Name: (3-butyl-5,5-dimethyl-2-thioxo-thiazolidin-4-yl)-hydroxy-[(3-nitrophenyl)methylene]ammonium CAS Name: (3-butyl-5,5-dimethyl-2-sulfanylidene-4-thiazolidinyl)-hydroxy-[(3-nitrophenyl)methylidene]ammonium IUPAC Name: (3-butyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-hydroxy-[(3-nitrophenyl)methylidene]azanium Traditional Name: (3-butyl-5,5-dimethyl-2-thioxo-thiazolidin-4-yl)-hydroxy-(3-nitrobenzylidene)ammonium Formula: C16H22N3O3S2+ MolecularWeight: 368.49418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(SC1=S)(C)C)[N+](=CC2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCN1C(C(SC1=S)(C)C)[N+](=CC2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H22N3O3S2/c1-4-5-9-17-14(16(2,3)24-15(17)23)18(20)11-12-7-6-8-13(10-12)19(21)22/h6-8,10-11,14,20H,4-5,9H2,1-3H3/q+1