4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 4-[(3-chlorophenyl)hydrazono]-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C16H11ClN6O3S MolecularWeight: 402.81494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN6O3S/c17-10-2-1-3-11(8-10)19-20-14-13(21-22(15(14)24)16(18)27)9-4-6-12(7-5-9)23(25)26/h1-8,19H,(H2,18,27)