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

Systemtic Name: 4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[mercapto-[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]-sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[mercapto-[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]carbostyril Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2C(C3=CC(=O)NC4=CC=CC=C43)S)COC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2C(C3=CC(=O)NC4=CC=CC=C43)S)COC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c30-23-15-20(19-13-7-8-14-21(19)26-23)24(32)25-28-27-22(16-31-18-11-5-2-6-12-18)29(25)17-9-3-1-4-10-17/h1-15,24,32H,16H2,(H,26,30)