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

Systemtic Name: N-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(5-methylisoxazol-3-yl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(5-methyl-3-isoxazolyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-(5-methylisoxazol-3-yl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C13H9N5O4S MolecularWeight: 331.30666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O4S/c1-7-6-10(17-22-7)12-15-16-13(23-12)14-11(19)8-2-4-9(5-3-8)18(20)21/h2-6H,1H3,(H,14,16,19)