[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)ethanoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)ethanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)acetate CAS Name: 2-(3,5-dimethylphenyl)acetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-(3,5-dimethylphenyl)acetate Traditional Name: 2-(3,5-dimethylphenyl)acetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H23N3O4S/c1-17-13-18(2)15-20(14-17)16-24(30)33-26-25(34-23-12-8-7-11-22(23)29(31)32)19(3)27-28(26)21-9-5-4-6-10-21/h4-15H,16H2,1-3H3