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

Systemtic Name: [5,5-dimethyl-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-[(4-nitrophenyl)methylidene]-oxidanyl-azanium Openeye Name: (3-benzyl-5,5-dimethyl-2-thioxo-thiazolidin-4-yl)-hydroxy-[(4-nitrophenyl)methylene]ammonium CAS Name: [5,5-dimethyl-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinyl]-hydroxy-[(4-nitrophenyl)methylidene]ammonium IUPAC Name: (3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-hydroxy-[(4-nitrophenyl)methylidene]azanium Traditional Name: (3-benzyl-5,5-dimethyl-2-thioxo-thiazolidin-4-yl)-hydroxy-(4-nitrobenzylidene)ammonium Formula: C19H20N3O3S2+ MolecularWeight: 402.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=S)S1)CC2=CC=CC=C2)[N+](=CC3=CC=C(C=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C(N(C(=S)S1)CC2=CC=CC=C2)[N+](=CC3=CC=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C19H20N3O3S2/c1-19(2)17(20(18(26)27-19)12-14-6-4-3-5-7-14)21(23)13-15-8-10-16(11-9-15)22(24)25/h3-11,13,17,23H,12H2,1-2H3/q+1