1-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[2-[(4-chlorophenyl)thio]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[2-[(4-chlorophenyl)thio]phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C26H25ClN4O3S MolecularWeight: 509.0197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN4O3S/c27-19-5-7-20(8-6-19)35-23-4-2-1-3-21(23)28-25(32)24-22(31(33)34)15-30(29-24)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18H,9-14H2,(H,28,32)