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

Systemtic Name: 8-chloranyl-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 8-chloro-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 8-chloro-2-[[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 8-chloro-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 8-chloro-2-[[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C21H19ClN4O2S MolecularWeight: 426.91916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-13-6-8-15(9-7-13)28-11-19-24-25-21(26(19)2)29-12-14-10-18(27)16-4-3-5-17(22)20(16)23-14/h3-10H,11-12H2,1-2H3,(H,23,27)