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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

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