N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C22H21ClN4OS2 MolecularWeight: 457.01134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4OS2/c1-22(2,3)18-12-19(27(26-18)15-7-5-4-6-8-15)25-20(28)13-29-21-24-16-11-14(23)9-10-17(16)30-21/h4-12H,13H2,1-3H3,(H,25,28)