(E)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]pent-4-enoate Formula: C28H22N3O2S- MolecularWeight: 464.55818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O2S/c1-19-11-13-20(14-12-19)27-22(18-31(30-27)23-7-3-2-4-8-23)17-21(15-16-26(32)33)28-29-24-9-5-6-10-25(24)34-28/h2-14,17-18H,15-16H2,1H3,(H,32,33)/p-1/b21-17+