(E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenyl-4-pyrazolyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-phenylpyrazol-4-yl)pent-4-enoate Formula: C21H16N3O2S- MolecularWeight: 374.43564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O2S/c25-20(26)11-10-16(21-23-18-8-4-5-9-19(18)27-21)12-15-13-22-24(14-15)17-6-2-1-3-7-17/h1-9,12-14H,10-11H2,(H,25,26)/p-1/b16-12+