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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)C

InChI

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