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

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C20H16BrN5OS/c21-15-12-22-26(13-15)14-25-11-10-18(24-25)20(27)23-17-8-4-5-9-19(17)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,27)