2-bromanyl-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-bromo-benzamide CAS Name: 2-bromo-N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-bromobenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-bromo-benzamide Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H13BrN4OS/c19-15-9-5-4-8-13(15)17(24)21-16-14(10-20)18(23-22-16)25-11-12-6-2-1-3-7-12/h1-9H,11H2,(H2,21,22,23,24)