6-chloranyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-chloro-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-chloro-2-[[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-chloro-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-chloro-2-[[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C=CC(=C3)Cl)COC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C=CC(=C3)Cl)COC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O2S/c1-2-26-20(12-28-16-6-4-3-5-7-16)24-25-21(26)29-13-15-11-19(27)17-10-14(22)8-9-18(17)23-15/h3-11H,2,12-13H2,1H3,(H,23,27)