8-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c1-14(2)15-8-10-17(11-9-15)29-21-20(26(27)28)22(25-13-24-21)30-18-7-3-5-16-6-4-12-23-19(16)18/h3-14H,1-2H3