ethyl 5-[(E)-ethoxymethylideneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-ethoxymethylideneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-ethoxymethyleneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-ethoxymethylideneamino]-3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-ethoxymethylideneamino]-3-methylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-ethoxymethyleneamino]-3-(methylthio)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(=NN1C2=CC=CC=C2)SC)C(=O)OCC

Isomeric SMILES

CCO/C=N/C1=C(C(=NN1C2=CC=CC=C2)SC)C(=O)OCC

InChI

InChI=1S/C16H19N3O3S/c1-4-21-11-17-14-13(16(20)22-5-2)15(23-3)18-19(14)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/b17-11+