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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(3-methylphenyl)ethanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(m-tolyl)acetate CAS Name: 2-(3-methylphenyl)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-methylphenyl)acetate Traditional Name: 2-(m-tolyl)acetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4S/c1-17-9-8-10-19(15-17)16-23(29)32-25-24(33-22-14-7-6-13-21(22)28(30)31)18(2)26-27(25)20-11-4-3-5-12-20/h3-15H,16H2,1-2H3