2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenyl-quinoline

Systemtic Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenyl-quinoline Openeye Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenyl-quinoline CAS Name: 2-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]-6-nitro-4-phenylquinoline IUPAC Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenylquinoline Traditional Name: 2-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]-6-nitro-4-phenyl-quinoline Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C27H20N4O3S/c1-34-26-11-8-19(14-20(26)17-35-27-28-12-5-13-29-27)25-16-22(18-6-3-2-4-7-18)23-15-21(31(32)33)9-10-24(23)30-25/h2-16H,17H2,1H3