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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-benzamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-nitro-benzamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-nitrobenzamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitrobenzamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-nitro-benzamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-7-10(8(2)20-15-7)6-21-12-4-3-9(13(14)17)5-11(12)16(18)19/h3-5H,6H2,1-2H3,(H2,14,17)