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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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