methyl 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-27-19(26)14-29-21-24-23-18(25(21)16-9-3-2-4-10-16)13-28-17-11-5-7-15-8-6-12-22-20(15)17/h2-12H,13-14H2,1H3