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

Systemtic Name: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 2-[[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 2-[[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S/c1-14-7-3-6-10-19(14)27-12-20-23-24-21(25(20)2)28-13-15-11-18(26)16-8-4-5-9-17(16)22-15/h3-11H,12-13H2,1-2H3,(H,22,26)