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

Systemtic Name: 2-bromanyl-N-[5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H12BrN5O4S2 MolecularWeight: 494.34228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrN5O4S2/c18-13-4-2-1-3-12(13)15(25)20-16-21-22-17(29-16)28-9-14(24)19-10-5-7-11(8-6-10)23(26)27/h1-8H,9H2,(H,19,24)(H,20,21,25)