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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C29H29N3O7S MolecularWeight: 563.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C29H29N3O7S/c1-5-36-23-17-20(18-24(37-6-2)26(23)38-7-3)29(33)39-28-27(40-25-16-12-11-15-22(25)32(34)35)19(4)30-31(28)21-13-9-8-10-14-21/h8-18H,5-7H2,1-4H3