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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C17H13BrN4O3S2 MolecularWeight: 465.34412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN4O3S2/c1-10-2-5-12(8-14(10)22(24)25)15(23)19-16-20-21-17(27-16)26-9-11-3-6-13(18)7-4-11/h2-8H,9H2,1H3,(H,19,20,23)