(E)-3-(1,3-benzothiazol-2-yl)-4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]but-3-enoate Formula: C26H19N4O2S- MolecularWeight: 451.51966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C(CC(=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\CC(=O)[O-])/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H20N4O2S/c31-24(32)14-20(26-28-22-10-4-5-11-23(22)33-26)13-21-17-30(16-18-7-2-1-3-8-18)29-25(21)19-9-6-12-27-15-19/h1-13,15,17H,14,16H2,(H,31,32)/p-1/b20-13+