3-chloranyl-N-(3,5-ditert-butyl-1-methyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(3,5-ditert-butyl-1-methyl-pyrazol-4-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3,5-ditert-butyl-1-methyl-pyrazol-4-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(3,5-ditert-butyl-1-methyl-4-pyrazolyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3,5-ditert-butyl-1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3,5-ditert-butyl-1-methyl-pyrazol-4-yl)benzothiophene-2-carboxamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NN1C)C(C)(C)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=NN1C)C(C)(C)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-20(2,3)17-15(18(21(4,5)6)25(7)24-17)23-19(26)16-14(22)12-10-8-9-11-13(12)27-16/h8-11H,1-7H3,(H,23,26)