(E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)but-3-enoate Formula: C21H15ClN3O2S- MolecularWeight: 408.8807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O2S/c1-13-16(20(22)25(24-13)15-7-3-2-4-8-15)11-14(12-19(26)27)21-23-17-9-5-6-10-18(17)28-21/h2-11H,12H2,1H3,(H,26,27)/p-1/b14-11+