N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C13H10N4O4S2 MolecularWeight: 350.3729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S2/c1-7-4-11(16-21-7)15-12(18)6-22-13-14-9-3-2-8(17(19)20)5-10(9)23-13/h2-5H,6H2,1H3,(H,15,16,18)