ethyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 2-[[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C34H28N4O2S MolecularWeight: 556.67672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H28N4O2S/c1-3-40-33(39)31-29(35-28-17-11-10-16-27(28)30(31)24-12-6-4-7-13-24)22-41-34-37-36-32(25-14-8-5-9-15-25)38(34)26-20-18-23(2)19-21-26/h4-21H,3,22H2,1-2H3