N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-[(4-methylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NCCN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NCCN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H22BrN3O2S/c1-13-4-6-17(7-5-13)26-11-16-10-18(27-12-16)20(25)22-8-9-24-15(3)19(21)14(2)23-24/h4-7,10,12H,8-9,11H2,1-3H3,(H,22,25)