1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)Br

InChI

InChI=1S/C22H20BrN5OS/c1-15-21(23)16(2)28(25-15)14-27-13-12-19(26-27)22(29)24-18-10-6-7-11-20(18)30-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,24,29)