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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=CC=CC=C3N2)COC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=CC=CC=C3N2)COC4=CC=C(C=C4)C

InChI

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