4-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one

Systemtic Name: 4-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]carbostyril Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)COC4=CC=CC(=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)COC4=CC=CC(=C4)C

InChI

InChI=1S/C22H22N4O2S/c1-3-26-20(13-28-17-8-6-7-15(2)11-17)24-25-22(26)29-14-16-12-21(27)23-19-10-5-4-9-18(16)19/h4-12H,3,13-14H2,1-2H3,(H,23,27)