1-adamantylmethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 1-adamantylmethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 1-adamantylmethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3,5-diphenyl-1-pyrazolyl)-4-methyl-5-thiazolecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazole-5-carboxylic acid 1-adamantylmethyl ester Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H31N3O2S/c1-20-28(29(35)36-19-31-16-21-12-22(17-31)14-23(13-21)18-31)37-30(32-20)34-27(25-10-6-3-7-11-25)15-26(33-34)24-8-4-2-5-9-24/h2-11,15,21-23H,12-14,16-19H2,1H3