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

Systemtic Name: 4-bromanyl-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H14BrN3O3S/c1-23-13-8-5-11(9-14(13)24-2)16-20-21-17(25-16)19-15(22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,21,22)