3-(1-adamantyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-nitro-5-(p-tolylthio)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H32N4O3S MolecularWeight: 564.69718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C33H32N4O3S/c1-21-7-9-28(10-8-21)41-29-15-25(14-27(16-29)37(39)40)34-32(38)30-20-36(26-5-3-2-4-6-26)35-31(30)33-17-22-11-23(18-33)13-24(12-22)19-33/h2-10,14-16,20,22-24H,11-13,17-19H2,1H3,(H,34,38)