4-bromanyl-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C16H12BrN3OS MolecularWeight: 374.25498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=C(C=NN3)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=C(C=NN3)Br

InChI

InChI=1S/C16H12BrN3OS/c17-12-10-18-20-15(12)16(21)19-13-8-4-5-9-14(13)22-11-6-2-1-3-7-11/h1-10H,(H,18,20)(H,19,21)