3-(4-nitrophenyl)-5-oxidanylidene-4-[(2,4,6-trimethylphenyl)hydrazinylidene]pyrazole-1-carbothioamide

Systemtic Name: 3-(4-nitrophenyl)-5-oxidanylidene-4-[(2,4,6-trimethylphenyl)hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: 3-(4-nitrophenyl)-5-oxo-4-[(2,4,6-trimethylphenyl)hydrazono]pyrazole-1-carbothioamide CAS Name: 3-(4-nitrophenyl)-5-oxo-4-[(2,4,6-trimethylphenyl)hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: 3-(4-nitrophenyl)-5-oxo-4-[(2,4,6-trimethylphenyl)hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: 5-keto-4-(mesitylhydrazono)-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N6O3S/c1-10-8-11(2)15(12(3)9-10)21-22-17-16(23-24(18(17)26)19(20)29)13-4-6-14(7-5-13)25(27)28/h4-9,21H,1-3H3,(H2,20,29)