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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)CCSC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)CCSC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN4O3S2/c18-12-3-7-14(8-4-12)26-10-9-15-20-21-17(27-15)19-16(23)11-1-5-13(6-2-11)22(24)25/h1-8H,9-10H2,(H,19,21,23)