(2-chloranylquinolin-3-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H17ClN4O2S2 MolecularWeight: 444.95758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl)C4=CC=CS4

InChI

InChI=1S/C20H17ClN4O2S2/c1-2-25-19(16-8-5-9-28-16)23-24-20(25)29-12-17(26)27-11-14-10-13-6-3-4-7-15(13)22-18(14)21/h3-10H,2,11-12H2,1H3