N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-chloro-benzothiophene-2-carboxamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-chloro-benzothiophene-2-carboxamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3OS/c1-22(2,3)17-13-18(26(25-17)14-9-5-4-6-10-14)24-21(27)20-19(23)15-11-7-8-12-16(15)28-20/h4-13H,1-3H3,(H,24,27)