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

Systemtic Name: 8-chloranyl-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 8-chloro-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 8-chloro-2-[[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 8-chloro-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 8-chloro-2-[[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C(=CC=C3)Cl)COC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C(=CC=C3)Cl)COC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4O2S/c1-25-18(11-27-14-6-3-2-4-7-14)23-24-20(25)28-12-13-10-17(26)15-8-5-9-16(21)19(15)22-13/h2-10H,11-12H2,1H3,(H,22,26)