3-[(6-bromanylnaphthalen-2-yl)oxymethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(6-bromanylnaphthalen-2-yl)oxymethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(6-bromo-2-naphthyl)oxymethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(6-bromo-2-naphthalenyl)oxymethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(6-bromonaphthalen-2-yl)oxymethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(6-bromo-2-naphthoxy)methyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3OS/c1-2-14-5-3-4-6-19(14)25-20(23-24-21(25)27)13-26-18-10-8-15-11-17(22)9-7-16(15)12-18/h3-12H,2,13H2,1H3,(H,24,27)