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

Systemtic Name: 4-bromanyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S/c1-24-14-8-3-11(9-15(14)25-2)10-16-21-22-18(26-16)20-17(23)12-4-6-13(19)7-5-12/h3-9H,10H2,1-2H3,(H,20,22,23)