(5Z)-5-[(3-methyl-4-nitro-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[(3-methyl-4-nitro-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[(3-methyl-4-nitro-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[(3-methyl-4-nitrophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(3-methyl-4-nitrophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-6-keto-5-(3-methyl-4-nitro-benzylidene)-2-thioxo-pyrimidin-4-olate Formula: C15H12N3O4S- MolecularWeight: 330.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C2C(=NC(=S)N(C2=O)CC=C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C\2/C(=NC(=S)N(C2=O)CC=C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-3-6-17-14(20)11(13(19)16-15(17)23)8-10-4-5-12(18(21)22)9(2)7-10/h3-5,7-8H,1,6H2,2H3,(H,16,19,23)/p-1/b11-8-