2-(3,5-dinitropyridin-2-yl)sulfanyl-1,3-benzoxazole

Systemtic Name: 2-(3,5-dinitropyridin-2-yl)sulfanyl-1,3-benzoxazole Openeye Name: 2-[(3,5-dinitro-2-pyridyl)sulfanyl]-1,3-benzoxazole CAS Name: 2-[(3,5-dinitro-2-pyridinyl)thio]-1,3-benzoxazole IUPAC Name: 2-(3,5-dinitropyridin-2-yl)sulfanyl-1,3-benzoxazole Traditional Name: 2-[(3,5-dinitro-2-pyridyl)thio]-1,3-benzoxazole Formula: C12H6N4O5S MolecularWeight: 318.26484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N4O5S/c17-15(18)7-5-9(16(19)20)11(13-6-7)22-12-14-8-3-1-2-4-10(8)21-12/h1-6H