(E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-acrylamide Formula: C21H14ClN5OS MolecularWeight: 419.88676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H14ClN5OS/c1-13-16(19(22)27(26-13)15-7-3-2-4-8-15)11-14(12-23)20(28)25-21-24-17-9-5-6-10-18(17)29-21/h2-11H,1H3,(H,24,25,28)/b14-11+