[5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] thiane-2-carboxylate

Systemtic Name: [5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] thiane-2-carboxylate Openeye Name: [5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] tetrahydrothiopyran-2-carboxylate CAS Name: 2-thianecarboxylic acid [5-methyl-2-(2-phenoxyethyl)-4-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-phenoxyethyl)-4-phenylpyrazol-3-yl] thiane-2-carboxylate Traditional Name: tetrahydrothiopyran-2-carboxylic acid [5-methyl-2-(2-phenoxyethyl)-4-phenyl-pyrazol-3-yl] ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)OC(=O)C3CCCCS3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)OC(=O)C3CCCCS3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c1-18-22(19-10-4-2-5-11-19)23(29-24(27)21-14-8-9-17-30-21)26(25-18)15-16-28-20-12-6-3-7-13-20/h2-7,10-13,21H,8-9,14-17H2,1H3