8-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O3S/c1-12-9-15(10-13(2)17(12)22)29-20-19(26(27)28)21(25-11-24-20)30-16-7-3-5-14-6-4-8-23-18(14)16/h3-11H,1-2H3