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

Systemtic Name: 3-chloranyl-N-[4-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]benzamide CAS Name: 3-chloro-N-[4-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxo-1-phenylethyl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[4-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-phenyl-ethyl]thio]phenyl]benzamide Formula: C32H27ClN4O3S MolecularWeight: 583.09978

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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)Cl

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)Cl

InChI

InChI=1S/C32H27ClN4O3S/c1-21-28(32(40)37(36(21)2)26-14-7-4-8-15-26)35-31(39)29(22-10-5-3-6-11-22)41-27-18-16-25(17-19-27)34-30(38)23-12-9-13-24(33)20-23/h3-20,29H,1-2H3,(H,34,38)(H,35,39)