1-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[2-[(4-chlorophenyl)thio]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(4-chlorophenyl)thio]phenyl]pyrazole-3-carboxamide Formula: C20H15BrClN5OS MolecularWeight: 488.788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15BrClN5OS/c21-14-11-23-27(12-14)13-26-10-9-18(25-26)20(28)24-17-3-1-2-4-19(17)29-16-7-5-15(22)6-8-16/h1-12H,13H2,(H,24,28)