N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-[(4-methylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-16-2-8-21(9-3-16)29-14-18-10-22(30-15-18)23(28)26-20-6-4-17(5-7-20)12-27-13-19(24)11-25-27/h2-11,13,15H,12,14H2,1H3,(H,26,28)