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

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-1-phenyl-N-[2-(phenylthio)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-1-phenyl-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-[2-(phenylthio)phenyl]pyrazole-4-carboxamide Formula: C32H31N3OS MolecularWeight: 505.67304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31N3OS/c36-31(33-28-13-7-8-14-29(28)37-26-11-5-2-6-12-26)27-21-35(25-9-3-1-4-10-25)34-30(27)32-18-22-15-23(19-32)17-24(16-22)20-32/h1-14,21-24H,15-20H2,(H,33,36)