methyl 4-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-25-19(17-9-10-18-16(12-17)4-3-11-22-18)23-24-21(25)28-13-14-5-7-15(8-6-14)20(26)27-2/h3-12H,13H2,1-2H3