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

Systemtic Name: 6-chloranyl-2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-chloro-2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-chloro-2-[[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-chloro-2-[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-chloro-2-[[[5-[(2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-3-14-6-4-5-7-20(14)29-12-21-25-26-22(27(21)2)30-13-16-11-19(28)17-10-15(23)8-9-18(17)24-16/h4-11H,3,12-13H2,1-2H3,(H,24,28)