methyl 4-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C26H20N4O2S MolecularWeight: 452.5276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O2S/c1-32-25(31)24-22(16-33-26-29-27-17-30(26)19-12-6-3-7-13-19)28-21-15-9-8-14-20(21)23(24)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3