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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C=CC(=C3)C)COC4=CC=CC=C4Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C=CC(=C3)C)COC4=CC=CC=C4Cl

InChI

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