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

Systemtic Name: 4-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]carbostyril Formula: C25H19BrN4O2S MolecularWeight: 519.41296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NC4=CC=CC=C43)COC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NC4=CC=CC=C43)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H19BrN4O2S/c26-18-10-12-20(13-11-18)32-15-23-28-29-25(30(23)19-6-2-1-3-7-19)33-16-17-14-24(31)27-22-9-5-4-8-21(17)22/h1-14H,15-16H2,(H,27,31)