2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]tetralin-1-one CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]tetralin-1-one Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCC3=CC=CC=C3C2=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SC2CCC3=CC=CC=C3C2=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-2-25-19(13-27-16-10-8-15(22)9-11-16)23-24-21(25)28-18-12-7-14-5-3-4-6-17(14)20(18)26/h3-6,8-11,18H,2,7,12-13H2,1H3