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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)COC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3OS/c22-18-8-6-17-13-19(9-7-16(17)12-18)26-14-20-23-24-21(27)25(20)11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,24,27)