3-bromanyl-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)benzamide

Systemtic Name: 3-bromanyl-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)benzamide Openeye Name: 3-bromo-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)benzamide CAS Name: 3-bromo-N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]benzamide IUPAC Name: 3-bromo-N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)benzamide Traditional Name: 3-bromo-N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]benzamide Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C18H13BrN4OS/c1-25-18-15(11-20)16(22-23(18)14-8-3-2-4-9-14)21-17(24)12-6-5-7-13(19)10-12/h2-10H,1H3,(H,21,22,24)