N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide Formula: C18H16BrN3O3S2 MolecularWeight: 466.37194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H16BrN3O3S2/c1-24-14-7-12(8-15(9-14)25-2)16(23)20-17-21-22-18(27-17)26-10-11-3-5-13(19)6-4-11/h3-9H,10H2,1-2H3,(H,20,21,23)