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

Systemtic Name: ethyl 5-azanyl-1-hexadecanoyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-hexadecanoyl-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(1-oxohexadecyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-hexadecanoyl-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-hexadecanoyl-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C23H41N3O3S MolecularWeight: 439.65494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41N3O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(27)26-21(24)20(22(25-26)30-3)23(28)29-5-2/h4-18,24H2,1-3H3