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

Systemtic Name: 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-(4,5-dimethyloxazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4,5-dimethyl-2-oxazolyl)thio]-3-nitrobenzamide IUPAC Name: 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4,5-dimethyloxazol-2-yl)thio]-3-nitro-benzamide Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N3O4S/c1-6-7(2)19-12(14-6)20-10-4-3-8(11(13)16)5-9(10)15(17)18/h3-5H,1-2H3,(H2,13,16)