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

Systemtic Name: 3-(1-benzofuran-2-yl)-4-[(3-bromanyl-4-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzofuran-2-yl)-4-[(3-bromo-4-methoxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-benzofuranyl)-4-[(3-bromo-4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-benzofuran-2-yl)-4-[(3-bromo-4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(benzofuran-2-yl)-4-(3-bromo-4-methoxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=NNC2=S)C3=CC4=CC=CC=C4O3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=NNC2=S)C3=CC4=CC=CC=C4O3)Br

InChI

InChI=1S/C18H14BrN3O2S/c1-23-15-7-6-11(8-13(15)19)10-22-17(20-21-18(22)25)16-9-12-4-2-3-5-14(12)24-16/h2-9H,10H2,1H3,(H,21,25)