N-[4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C32H27N5O5S MolecularWeight: 593.65228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H27N5O5S/c1-21-28(32(40)36(35(21)2)25-13-7-4-8-14-25)34-31(39)29(22-10-5-3-6-11-22)43-27-18-16-24(17-19-27)33-30(38)23-12-9-15-26(20-23)37(41)42/h3-20,29H,1-2H3,(H,33,38)(H,34,39)