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

Systemtic Name: 4-[(2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 3-(4-nitrophenyl)-4-(o-tolylhydrazono)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[(2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[(2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 5-keto-3-(4-nitrophenyl)-4-(o-tolylhydrazono)-2-pyrazoline-1-carbothioamide Formula: C17H14N6O3S MolecularWeight: 382.39646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O3S/c1-10-4-2-3-5-13(10)19-20-15-14(21-22(16(15)24)17(18)27)11-6-8-12(9-7-11)23(25)26/h2-9,19H,1H3,(H2,18,27)