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

Systemtic Name: 3-chloranyl-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21ClN4OS/c1-4-27-21(15-9-11-16(28-3)12-10-15)25-26-22(27)29-13-19-20(23)14(2)17-7-5-6-8-18(17)24-19/h5-12H,4,13H2,1-3H3