4-bromanyl-3-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-3-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-3-nitro-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-3-nitro-N-(2-phenylsulfanylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-3-nitro-N-[2-(phenylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C16H11BrN4O3S MolecularWeight: 419.25254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11BrN4O3S/c17-13-14(19-20-15(13)21(23)24)16(22)18-11-8-4-5-9-12(11)25-10-6-2-1-3-7-10/h1-9H,(H,18,22)(H,19,20)