N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-(phenoxymethyl)thiophene-2-carboxamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4

InChI

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