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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NN=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)13-8-10-14(11-9-13)26(28)29)23-22-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22H,(H2,21,30)