4-chloranyl-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-5-methyl-2-[(2E)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenyl-ethyl]sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-5-methyl-2-[(2E)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenyl-ethyl]sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-5-methyl-2-[(2E)-2-[(4-nitrophenyl)hydrazono]-2-phenyl-ethyl]sulfanyl-benzenesulfonamide CAS Name: 4-chloro-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-5-methyl-2-[[(2E)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylethyl]thio]benzenesulfonamide IUPAC Name: 4-chloro-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-5-methyl-2-[(2E)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylethyl]sulfanylbenzenesulfonamide Traditional Name: 4-chloro-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-5-methyl-2-[[(2E)-2-[(4-nitrophenyl)hydrazono]-2-phenyl-ethyl]thio]benzenesulfonamide Formula: C27H29ClN6O4S2 MolecularWeight: 601.13996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)NC4=NCC(CN4)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SC/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3)S(=O)(=O)NC4=NCC(CN4)(C)C

InChI

InChI=1S/C27H29ClN6O4S2/c1-18-13-25(40(37,38)33-26-29-16-27(2,3)17-30-26)24(14-22(18)28)39-15-23(19-7-5-4-6-8-19)32-31-20-9-11-21(12-10-20)34(35)36/h4-14,31H,15-17H2,1-3H3,(H2,29,30,33)/b32-23-