N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-methyl-5-(3-nitrophenyl)-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-18-17(24)20-16(13-8-5-9-14(10-13)21(22)23)11-15(19-20)12-6-3-2-4-7-12/h2-10,16H,11H2,1H3,(H,18,24)