N-[1-(4-butan-2-ylphenyl)ethyl]-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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