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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(4-ethoxyphenyl)ethanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O5S/c1-3-33-21-15-13-19(14-16-21)17-24(30)34-26-25(35-23-12-8-7-11-22(23)29(31)32)18(2)27-28(26)20-9-5-4-6-10-20/h4-16H,3,17H2,1-2H3