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

Systemtic Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenyl-quinoline hydrochloride Openeye Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenyl-quinoline hydrochloride CAS Name: 2-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]-6-nitro-4-phenylquinoline hydrochloride IUPAC Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-6-nitro-4-phenylquinoline hydrochloride Traditional Name: 2-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]-6-nitro-4-phenyl-quinoline hydrochloride Formula: C27H21ClN4O3S MolecularWeight: 516.99864

Click to see the large picture

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.Cl

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.Cl

InChI

InChI=1S/C27H20N4O3S.ClH/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;1H