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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6S/c1-4-34-22-16-15-19(17-23(22)35-5-2)27(31)36-26-25(37-24-14-10-9-13-21(24)30(32)33)18(3)28-29(26)20-11-7-6-8-12-20/h6-17H,4-5H2,1-3H3