(2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-chloro-7-methyl-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-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-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-7-methyl-3-quinolyl)methyl ester Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)C)Cl)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)C)Cl)C4=CC=CS4

InChI

InChI=1S/C21H19ClN4O2S2/c1-3-26-20(17-5-4-8-29-17)24-25-21(26)30-12-18(27)28-11-15-10-14-7-6-13(2)9-16(14)23-19(15)22/h4-10H,3,11-12H2,1-2H3