3,5-didodecoxy-N-[4-(2-nitrophenyl)sulfanyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl]benzamide

Systemtic Name: 3,5-didodecoxy-N-[4-(2-nitrophenyl)sulfanyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl]benzamide Openeye Name: 3,5-didodecoxy-N-[4-(2-nitrophenyl)sulfanyl-3-oxo-2-phenyl-1H-pyrazol-5-yl]benzamide CAS Name: 3,5-didodecoxy-N-[4-[(2-nitrophenyl)thio]-3-oxo-2-phenyl-1H-pyrazol-5-yl]benzamide IUPAC Name: 3,5-didodecoxy-N-[4-(2-nitrophenyl)sulfanyl-3-oxo-2-phenyl-1H-pyrazol-5-yl]benzamide Traditional Name: N-[5-keto-4-[(2-nitrophenyl)thio]-1-phenyl-3-pyrazolin-3-yl]-3,5-dilauryloxy-benzamide Formula: C46H64N4O6S MolecularWeight: 801.08856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)NC2=C(C(=O)N(N2)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)NC2=C(C(=O)N(N2)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])OCCCCCCCCCCCC

InChI

InChI=1S/C46H64N4O6S/c1-3-5-7-9-11-13-15-17-19-26-32-55-39-34-37(35-40(36-39)56-33-27-20-18-16-14-12-10-8-6-4-2)45(51)47-44-43(57-42-31-25-24-30-41(42)50(53)54)46(52)49(48-44)38-28-22-21-23-29-38/h21-25,28-31,34-36,48H,3-20,26-27,32-33H2,1-2H3,(H,47,51)