4-[(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: 4-[(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[(2-cyanophenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 4-[(2-cyanophenyl)hydrazono]-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C17H11N7O3S MolecularWeight: 393.37934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N7O3S/c18-9-11-3-1-2-4-13(11)20-21-15-14(22-23(16(15)25)17(19)28)10-5-7-12(8-6-10)24(26)27/h1-8,20H,(H2,19,28)