N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-iodanyl-benzamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-iodanyl-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-iodo-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-iodobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-iodobenzamide Traditional Name: 3-iodo-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H16IN3O3S MolecularWeight: 481.30741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)I)OC

InChI

InChI=1S/C18H16IN3O3S/c1-24-14-7-6-11(8-15(14)25-2)9-16-21-22-18(26-16)20-17(23)12-4-3-5-13(19)10-12/h3-8,10H,9H2,1-2H3,(H,20,22,23)