(E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]but-3-enoic acid Formula: C25H18N4O2S MolecularWeight: 438.50102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=C(CC(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)/C=C(\CC(=O)O)/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H18N4O2S/c30-23(31)14-18(25-27-21-10-4-5-11-22(21)32-25)13-19-16-29(20-8-2-1-3-9-20)28-24(19)17-7-6-12-26-15-17/h1-13,15-16H,14H2,(H,30,31)/b18-13+