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

Systemtic Name: 2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 2-[[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 2-[[[5-[(2-ethylphenoxy)methyl]-4-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:

CCC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=O)C4=CC=CC=C4N3

InChI

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