2-[(4-nitrophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(4-nitrophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(4-nitrophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-nitrophenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-nitrophenyl)thiocarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S/c1-9-14(10(2)20(3)19-9)18-13(22)8-16-15(25)17-11-4-6-12(7-5-11)21(23)24/h4-7H,8H2,1-3H3,(H,18,22)(H2,16,17,25)