N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-[(3,5-dimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O2S/c1-16-7-17(2)9-22(8-16)30-14-19-10-23(31-15-19)24(29)27-21-5-3-18(4-6-21)12-28-13-20(25)11-26-28/h3-11,13,15H,12,14H2,1-2H3,(H,27,29)