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

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-benzyloxyphenyl)-4-[(3-bromo-4-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-benzoxyphenyl)-4-(3-bromo-4-methoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-28-21-12-7-17(13-20(21)24)14-27-22(25-26-23(27)30)18-8-10-19(11-9-18)29-15-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,26,30)