2-bromanyl-N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H11BrN4O4S2 MolecularWeight: 479.32764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN4O4S2/c18-13-7-2-1-6-12(13)15(24)19-16-20-21-17(28-16)27-9-14(23)10-4-3-5-11(8-10)22(25)26/h1-8H,9H2,(H,19,20,24)