2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[2-[(2,3-dimethoxyphenyl)methyl]-3-pyrazolyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(2-o-veratrylpyrazol-3-yl)acetamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=NN2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=NN2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H22BrN3O3S/c1-14-11-16(22)7-8-18(14)29-13-20(26)24-19-9-10-23-25(19)12-15-5-4-6-17(27-2)21(15)28-3/h4-11H,12-13H2,1-3H3,(H,24,26)