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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) adamantane-1-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2S/c1-16-21(30-20-8-6-5-7-9-20)22(27(26-16)24(2,3)4)29-23(28)25-13-17-10-18(14-25)12-19(11-17)15-25/h5-9,17-19H,10-15H2,1-4H3