N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2-nitrophenyl)carbamothioylamino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2-nitrophenyl)carbamothioylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(2-nitrophenyl)carbamothioylamino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2-nitrophenyl)carbamothioylamino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(2-nitrophenyl)thiocarbamoylamino]benzamide Formula: C25H22N6O4S MolecularWeight: 502.54498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O4S/c1-16-22(24(33)30(29(16)2)19-11-4-3-5-12-19)28-23(32)17-9-8-10-18(15-17)26-25(36)27-20-13-6-7-14-21(20)31(34)35/h3-15H,1-2H3,(H,28,32)(H2,26,27,36)