8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C18H14N6O2S/c1-11-9-12(2)23(22-11)17-16(24(25)26)18(21-10-20-17)27-14-7-3-5-13-6-4-8-19-15(13)14/h3-10H,1-2H3