4-[(4-bromanyl-3-methoxy-phenyl)methyl]-3-[2-(phenylmethylsulfanyl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(4-bromanyl-3-methoxy-phenyl)methyl]-3-[2-(phenylmethylsulfanyl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-benzylsulfanylethyl)-4-[(4-bromo-3-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-bromo-3-methoxyphenyl)methyl]-3-[2-(phenylmethylthio)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-benzylsulfanylethyl)-4-[(4-bromo-3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(benzylthio)ethyl]-4-(4-bromo-3-methoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C19H20BrN3OS2 MolecularWeight: 450.4156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(=NNC2=S)CCSCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(=NNC2=S)CCSCC3=CC=CC=C3)Br

InChI

InChI=1S/C19H20BrN3OS2/c1-24-17-11-15(7-8-16(17)20)12-23-18(21-22-19(23)25)9-10-26-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)