4-[[4-(3-cyanophenyl)-5-pyridazin-4-yl-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(3-cyanophenyl)-5-pyridazin-4-yl-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(3-cyanophenyl)-5-pyridazin-4-yl-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-(3-cyanophenyl)-5-(4-pyridazinyl)-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-(3-cyanophenyl)-5-pyridazin-4-yl-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(3-cyanophenyl)-5-pyridazin-4-yl-thiazol-2-yl]amino]benzoic acid Formula: C21H13N5O2S MolecularWeight: 399.42522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)C(=O)O)C4=CN=NC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)C(=O)O)C4=CN=NC=C4)C#N

InChI

InChI=1S/C21H13N5O2S/c22-11-13-2-1-3-15(10-13)18-19(16-8-9-23-24-12-16)29-21(26-18)25-17-6-4-14(5-7-17)20(27)28/h1-10,12H,(H,25,26)(H,27,28)