4-[(4E)-4-[[5-(dimethylamino)thiophen-2-yl]methylidene]-3-isocyano-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[5-(dimethylamino)thiophen-2-yl]methylidene]-3-isocyano-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[5-(dimethylamino)-2-thienyl]methylene]-3-isocyano-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[5-(dimethylamino)-2-thiophenyl]methylidene]-3-isocyano-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[5-(dimethylamino)thiophen-2-yl]methylidene]-3-isocyano-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[[5-(dimethylamino)-2-thienyl]methylene]-3-isocyano-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(S1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)[N+]#[C-]

Isomeric SMILES

CN(C)C1=CC=C(S1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)[N+]#[C-]

InChI

InChI=1S/C18H14N4O3S/c1-19-16-14(10-13-8-9-15(26-13)21(2)3)17(23)22(20-16)12-6-4-11(5-7-12)18(24)25/h4-10H,2-3H3,(H,24,25)/b14-10+