N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-14(16-5-7-17(8-6-16)21(2,3)4)24-20(26)19-9-15(13-27-19)11-25-12-18(22)10-23-25/h5-10,12-14H,11H2,1-4H3,(H,24,26)