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

Systemtic Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrazol-3-one Openeye Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrazol-3-one CAS Name: 5-methyl-4-[(2-nitrophenyl)thio]-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrazol-3-one Traditional Name: 5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-1-(3,4,5-trimethoxybenzoyl)-3-pyrazolin-3-one Formula: C26H23N3O7S MolecularWeight: 521.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O7S/c1-16-24(37-22-13-9-8-12-19(22)29(32)33)26(31)28(18-10-6-5-7-11-18)27(16)25(30)17-14-20(34-2)23(36-4)21(15-17)35-3/h5-15H,1-4H3