(E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenyl-4-pyrazolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3-diphenylpyrazol-4-yl)but-3-enoic acid Formula: C26H19N3O2S MolecularWeight: 437.51296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(CC(=O)O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O2S/c30-24(31)16-19(26-27-22-13-7-8-14-23(22)32-26)15-20-17-29(21-11-5-2-6-12-21)28-25(20)18-9-3-1-4-10-18/h1-15,17H,16H2,(H,30,31)/b19-15+