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

Systemtic Name: 4-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]carbostyril Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)NC3=CC=CC=C32)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-2-26-19(12-28-16-9-7-15(22)8-10-16)24-25-21(26)29-13-14-11-20(27)23-18-6-4-3-5-17(14)18/h3-11H,2,12-13H2,1H3,(H,23,27)