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

Systemtic Name: methyl 4-phenyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3CCC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3CCC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S2/c1-32-25(31)24-22(16-34-26-29-27-17-30(26)14-13-19-10-7-15-33-19)28-21-12-6-5-11-20(21)23(24)18-8-3-2-4-9-18/h2-12,15,17H,13-14,16H2,1H3