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

Systemtic Name: 3-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2S/c1-29-22-12-7-18(15-19(22)16-30-21-10-8-20(25)9-11-21)23-26-27-24(31)28(23)14-13-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,27,31)