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

Systemtic Name: octyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: octyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(3,5-diphenyl-1-pyrazolyl)-4-methyl-5-thiazolecarboxylic acid octyl ester IUPAC Name: octyl 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 octyl ester Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N=C(S1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N=C(S1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O2S/c1-3-4-5-6-7-14-19-33-27(32)26-21(2)29-28(34-26)31-25(23-17-12-9-13-18-23)20-24(30-31)22-15-10-8-11-16-22/h8-13,15-18,20H,3-7,14,19H2,1-2H3