5-chloranyl-8-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 5-chloro-8-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C21H19ClN4OS MolecularWeight: 410.91976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=C(C=C2)Cl)C=CC=N3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=C(C=C2)Cl)C=CC=N3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H19ClN4OS/c1-3-26-20(16-7-4-5-9-18(16)27-2)24-25-21(26)28-13-14-10-11-17(22)15-8-6-12-23-19(14)15/h4-12H,3,13H2,1-2H3