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

Systemtic Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[mercapto-[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]-sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[mercapto-[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]carbostyril Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)C(C4=CC(=O)NC5=CC=CC=C54)S

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)C(C4=CC(=O)NC5=CC=CC=C54)S

InChI

InChI=1S/C26H22N4O2S/c1-17-9-5-8-14-22(17)32-16-23-28-29-26(30(23)18-10-3-2-4-11-18)25(33)20-15-24(31)27-21-13-7-6-12-19(20)21/h2-15,25,33H,16H2,1H3,(H,27,31)