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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C18H15BrN4O5S2 MolecularWeight: 511.3695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15BrN4O5S2/c1-27-14-7-12(13(23(25)26)8-15(14)28-2)16(24)20-17-21-22-18(30-17)29-9-10-3-5-11(19)6-4-10/h3-8H,9H2,1-2H3,(H,20,21,24)