1-(5-bromanyl-1,3,4-thiadiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)urea

Systemtic Name: 1-(5-bromanyl-1,3,4-thiadiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)urea Openeye Name: 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)urea CAS Name: 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(4-chloro-3-nitrophenyl)urea IUPAC Name: 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(4-chloro-3-nitrophenyl)urea Traditional Name: 1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)urea Formula: C9H5BrClN5O3S MolecularWeight: 378.5897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H5BrClN5O3S/c10-7-14-15-9(20-7)13-8(17)12-4-1-2-5(11)6(3-4)16(18)19/h1-3H,(H2,12,13,15,17)