4-(naphthalen-2-ylhydrazinylidene)-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: 4-(naphthalen-2-ylhydrazinylidene)-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-(2-naphthylhydrazono)-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-(2-naphthalenylhydrazinylidene)-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-(naphthalen-2-ylhydrazinylidene)-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 5-keto-4-(2-naphthylhydrazono)-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C20H14N6O3S MolecularWeight: 418.42856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O3S/c21-20(30)25-19(27)18(17(24-25)13-6-9-16(10-7-13)26(28)29)23-22-15-8-5-12-3-1-2-4-14(12)11-15/h1-11,22H,(H2,21,30)