ethyl 1-[4-[methanoyl(methyl)amino]phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-[methanoyl(methyl)amino]phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-[formyl(methyl)amino]phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-[4-[formyl(methyl)amino]phenyl]-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[formyl(methyl)amino]phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-[4-[formyl(methyl)amino]phenyl]-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)N(C)C=O

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)N(C)C=O

InChI

InChI=1S/C21H21N3O3S/c1-4-27-21(26)19-13-20(15-5-11-18(28-3)12-6-15)24(22-19)17-9-7-16(8-10-17)23(2)14-25/h5-14H,4H2,1-3H3