3-[(2,5-dimethoxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2,5-dimethoxybenzyl)-4-(4-iodophenyl)-1H-1,2,4-triazole-5-thione Formula: C17H16IN3O2S MolecularWeight: 453.29731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC2=NNC(=S)N2C3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC2=NNC(=S)N2C3=CC=C(C=C3)I

InChI

InChI=1S/C17H16IN3O2S/c1-22-14-7-8-15(23-2)11(9-14)10-16-19-20-17(24)21(16)13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,20,24)