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

Systemtic Name: 6-methyl-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-methyl-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-methyl-2-[[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-methyl-2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-methyl-2-[[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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