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

Systemtic Name: 3-chloranyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline Formula: C22H21ClN4S MolecularWeight: 408.94694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)C4=CC=CC=C4C

InChI

InChI=1S/C22H21ClN4S/c1-4-27-21(16-10-6-5-9-14(16)2)25-26-22(27)28-13-19-20(23)15(3)17-11-7-8-12-18(17)24-19/h5-12H,4,13H2,1-3H3