4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)isoxazole-3-carboxamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-methyl-N-[2-(phenylthio)phenyl]-3-isoxazolecarboxamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylsulfanylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-methyl-N-[2-(phenylthio)phenyl]isoxazole-3-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4S/c1-14-22(28(30)31)15(2)27(25-14)13-18-16(3)32-26-21(18)23(29)24-19-11-7-8-12-20(19)33-17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,29)