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

Systemtic Name: 5-methyl-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 5-methyl-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]isoxazole CAS Name: 5-methyl-3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]isoxazole IUPAC Name: 5-methyl-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]isoxazole Formula: C12H9N3O3S2 MolecularWeight: 307.34816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3S2/c1-7-4-8(14-18-7)6-19-12-13-10-3-2-9(15(16)17)5-11(10)20-12/h2-5H,6H2,1H3