N-(5-bromanylpyridin-2-yl)-5-methyl-2-[4-(C-thiomorpholin-4-ylcarbonimidoyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-5-methyl-2-[4-(C-thiomorpholin-4-ylcarbonimidoyl)phenyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-5-methyl-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-[imino(thiomorpholin-4-yl)methyl]phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-5-methyl-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-5-methyl-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]pyrazole-3-carboxamide Formula: C21H21BrN6OS MolecularWeight: 485.40004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=NC=C(C=C2)Br)C3=CC=C(C=C3)C(=N)N4CCSCC4

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=NC=C(C=C2)Br)C3=CC=C(C=C3)C(=N)N4CCSCC4

InChI

InChI=1S/C21H21BrN6OS/c1-14-12-18(21(29)25-19-7-4-16(22)13-24-19)28(26-14)17-5-2-15(3-6-17)20(23)27-8-10-30-11-9-27/h2-7,12-13,23H,8-11H2,1H3,(H,24,25,29)