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

Systemtic Name: 3-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[2-[(4-chlorophenyl)thio]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[2-[(4-chlorophenyl)thio]phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C32H30ClN3OS MolecularWeight: 540.1181

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC=C5SC6=CC=C(C=C6)Cl)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=CC=C5SC6=CC=C(C=C6)Cl)C7=CC=CC=C7

InChI

InChI=1S/C32H30ClN3OS/c33-24-10-12-26(13-11-24)38-29-9-5-4-8-28(29)34-31(37)27-20-36(25-6-2-1-3-7-25)35-30(27)32-17-21-14-22(18-32)16-23(15-21)19-32/h1-13,20-23H,14-19H2,(H,34,37)