5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-triethoxyphenyl)carbonyl-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-triethoxyphenyl)carbonyl-pyrazol-3-one Openeye Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-triethoxybenzoyl)pyrazol-3-one CAS Name: 5-methyl-4-[(2-nitrophenyl)thio]-1-[oxo-(3,4,5-triethoxyphenyl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-triethoxybenzoyl)pyrazol-3-one Traditional Name: 5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-1-(3,4,5-triethoxybenzoyl)-3-pyrazolin-3-one Formula: C29H29N3O7S MolecularWeight: 563.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=C(C(=O)N2C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=C(C(=O)N2C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])C

InChI

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