1-(2,2-dimethyl-6-nitro-1,3-benzoxazin-4-yl)pyridine-2-thione

Systemtic Name: 1-(2,2-dimethyl-6-nitro-1,3-benzoxazin-4-yl)pyridine-2-thione Openeye Name: 1-(2,2-dimethyl-6-nitro-1,3-benzoxazin-4-yl)pyridine-2-thione CAS Name: 1-(2,2-dimethyl-6-nitro-1,3-benzoxazin-4-yl)-2-pyridinethione IUPAC Name: 1-(2,2-dimethyl-6-nitro-1,3-benzoxazin-4-yl)pyridine-2-thione Traditional Name: 1-(2,2-dimethyl-6-nitro-1,3-benzoxazin-4-yl)pyridine-2-thione Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=S)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=S)C

InChI

InChI=1S/C15H13N3O3S/c1-15(2)16-14(17-8-4-3-5-13(17)22)11-9-10(18(19)20)6-7-12(11)21-15/h3-9H,1-2H3