N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-[(3,4-dimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br)C

InChI

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