methyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-phenyl-2-[(2-pyrimidinylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[(2-pyrimidylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S/c1-27-21(26)20-18(14-28-22-23-12-7-13-24-22)25-17-11-6-5-10-16(17)19(20)15-8-3-2-4-9-15/h2-13H,14H2,1H3