8-(6-chloranyl-5-nitro-pyrimidin-4-yl)sulfanylquinoline

Systemtic Name: 8-(6-chloranyl-5-nitro-pyrimidin-4-yl)sulfanylquinoline Openeye Name: 8-(6-chloro-5-nitro-pyrimidin-4-yl)sulfanylquinoline CAS Name: 8-[(6-chloro-5-nitro-4-pyrimidinyl)thio]quinoline IUPAC Name: 8-(6-chloro-5-nitropyrimidin-4-yl)sulfanylquinoline Traditional Name: 8-[(6-chloro-5-nitro-pyrimidin-4-yl)thio]quinoline Formula: C13H7ClN4O2S MolecularWeight: 318.73828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(C(=NC=N3)Cl)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(C(=NC=N3)Cl)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C13H7ClN4O2S/c14-12-11(18(19)20)13(17-7-16-12)21-9-5-1-3-8-4-2-6-15-10(8)9/h1-7H