2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide Formula: C20H16ClN5OS2 MolecularWeight: 441.95694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)CSC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H16ClN5OS2/c1-13-15(19(21)26(25-13)14-7-3-2-4-8-14)11-22-24-18(27)12-28-20-23-16-9-5-6-10-17(16)29-20/h2-11H,12H2,1H3,(H,24,27)/b22-11+