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

Systemtic Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-phenyl-quinoline hydrochloride Openeye Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-phenyl-quinoline hydrochloride CAS Name: 2-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]-4-phenylquinoline hydrochloride IUPAC Name: 2-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-4-phenylquinoline hydrochloride Traditional Name: 2-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]-4-phenyl-quinoline hydrochloride Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4)CSC5=NC=CC=N5.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4)CSC5=NC=CC=N5.Cl

InChI

InChI=1S/C27H21N3OS.ClH/c1-31-26-13-12-20(16-21(26)18-32-27-28-14-7-15-29-27)25-17-23(19-8-3-2-4-9-19)22-10-5-6-11-24(22)30-25;/h2-17H,18H2,1H3;1H