(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) adamantane-1-carboxylate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) adamantane-1-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2O2S/c1-18-24(32-23-10-6-3-7-11-23)25(29(28-18)22-8-4-2-5-9-22)31-26(30)27-15-19-12-20(16-27)14-21(13-19)17-27/h2-11,19-21H,12-17H2,1H3