1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone Openeye Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-2-(2,4-dimethylphenoxy)ethanone IUPAC Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone Traditional Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H21N3O4S/c1-13-5-10-19(14(2)11-13)28-12-20(25)23-16(4)21(15(3)22-23)29-18-8-6-17(7-9-18)24(26)27/h5-11H,12H2,1-4H3