4-[(4-nitrophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide

Systemtic Name: 4-[(4-nitrophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide CAS Name: 4-(4-nitrophenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide IUPAC Name: 4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide Formula: C22H16N6O2S MolecularWeight: 428.46644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O2S/c23-22(31)27-21(16-9-5-2-6-10-16)20(19(26-27)15-7-3-1-4-8-15)25-24-17-11-13-18(14-12-17)28(29)30/h1-14H,(H2,23,31)