6-imidazol-1-yl-2-methyl-7-nitro-4H-1,4-benzoxazine-3-thione

Systemtic Name: 6-imidazol-1-yl-2-methyl-7-nitro-4H-1,4-benzoxazine-3-thione Openeye Name: 6-imidazol-1-yl-2-methyl-7-nitro-4H-1,4-benzoxazine-3-thione CAS Name: 6-(1-imidazolyl)-2-methyl-7-nitro-4H-1,4-benzoxazine-3-thione IUPAC Name: 6-imidazol-1-yl-2-methyl-7-nitro-4H-1,4-benzoxazine-3-thione Traditional Name: 6-imidazol-1-yl-2-methyl-7-nitro-4H-1,4-benzoxazine-3-thione Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=C(C(=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=C(C(=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O3S/c1-7-12(20)14-8-4-9(15-3-2-13-6-15)10(16(17)18)5-11(8)19-7/h2-7H,1H3,(H,14,20)