4-(5-bromanylthiophen-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide Openeye Name: 4-(5-bromo-2-thienyl)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide CAS Name: 4-(5-bromo-2-thiophenyl)-N-[(1-phenyl-4-pyrazolyl)methyl]butanamide IUPAC Name: 4-(5-bromothiophen-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide Traditional Name: 4-(5-bromo-2-thienyl)-N-[(1-phenylpyrazol-4-yl)methyl]butyramide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C18H18BrN3OS/c19-17-10-9-16(24-17)7-4-8-18(23)20-11-14-12-21-22(13-14)15-5-2-1-3-6-15/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,20,23)