1-(1-adamantyl)-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C26H26N4O3S MolecularWeight: 474.57464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC=C5SC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC=C5SC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3S/c31-25(27-21-8-4-5-9-23(21)34-20-6-2-1-3-7-20)24-22(30(32)33)16-29(28-24)26-13-17-10-18(14-26)12-19(11-17)15-26/h1-9,16-19H,10-15H2,(H,27,31)