3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]isoxazole Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S2/c1-7-10(8(2)19-15-7)6-20-13-14-11-4-3-9(16(17)18)5-12(11)21-13/h3-5H,6H2,1-2H3