3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(methylthio)phenyl]benzamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)SC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)SC)C)Br

InChI

InChI=1S/C20H20BrN3OS/c1-13-19(21)14(2)24(23-13)12-15-6-4-7-16(10-15)20(25)22-17-8-5-9-18(11-17)26-3/h4-11H,12H2,1-3H3,(H,22,25)