ethyl 5-azanyl-3-methylsulfanyl-1-octadecanoyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-octadecanoyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-octadecanoyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(1-oxooctadecyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-octadecanoylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-stearoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H45N3O3S MolecularWeight: 467.7081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1C(=C(C(=N1)SC)C(=O)OCC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1C(=C(C(=N1)SC)C(=O)OCC)N

InChI

InChI=1S/C25H45N3O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(29)28-23(26)22(24(27-28)32-3)25(30)31-5-2/h4-20,26H2,1-3H3