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

Systemtic Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[mercapto-[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[mercapto-[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]carbostyril Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(C2=CC(=O)NC3=CC=CC=C32)S)COC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1C(C2=CC(=O)NC3=CC=CC=C32)S)COC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-24-17(12-26-13-7-3-2-4-8-13)22-23-20(24)19(27)15-11-18(25)21-16-10-6-5-9-14(15)16/h2-11,19,27H,12H2,1H3,(H,21,25)