1-[2,5-bis(chloranyl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)thiourea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-(2,5-dichlorophenyl)thiourea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-(2,5-dichlorophenyl)thiourea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-(2,5-dichlorophenyl)thiourea Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-(2,5-dichlorophenyl)thiourea Formula: C13H8Cl3N3O2S MolecularWeight: 376.64552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8Cl3N3O2S/c14-7-1-3-9(15)11(5-7)18-13(22)17-8-2-4-10(16)12(6-8)19(20)21/h1-6H,(H2,17,18,22)