2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-12-8-9-15(10-18(12)23(25)26)21-20(24)16-6-4-5-7-19(16)28-11-17-13(2)22-27-14(17)3/h4-10H,11H2,1-3H3,(H,21,24)